Table 1.

NIST-UNIFAC and NIST-KT-UNIFAC main groups for which interactions

parameters were evaluated in this research.
Number Group Name Description
1 CH2 Alkyl chains
2 C=C Double bonded alkyl chains
3 ACH Aromatic carbon
4 ACCH2 Aromatic carbon plus alkyl chain
5 OH Alcohols
6 CH3OH Methanol
7 H2O Water
8 ACOH Phenolic OH groups
9 CH2CO Ketones
10 CHO Aldehydes
11 CCOO Esters
12 HCOO Formates
13 CH2O Ethers
14 CNH2 Amines with 1-alkyl group
15 (C)2NH Amines with 2-alkyl groups
16 (C)3N Amines with 3-alkyl groups
17 ACNH2 Anilines
18 PYRIDINE Pyridines
19 CCN Nitriles
20 COOH Acids
21 CCl Chlorocarbons
22 CCl2 Dichlorocarbons
23 CCl3 Trichlorocarbons
24 CCl4 Tetrachlorocarbons
25 ACCl Chloroaromatics
26 CNO2 Nitro alkanes
27 ACNO2 Nitroaromatics
28 CS2 Carbon disulfide
29 CH3SH Mercaptans
30 FURFURAL Furfural
31 DOH Ethylene Glycol
32 I Iodides
33 BR Bromides
34 CC Triplebonded alkyl chains
35 DMSO Dimethylsulfoxide
36 ACRY Acrylic
37 ClC=C Chlorine attached to double bonded alkyl chain
38 ACF Fluoroaromatics
39 DMF Amides
40 CF2 Fluorines
41 COO Esters
42 SiH2 Silanes
43 SiO Siloxanes
44 NMP N-Methyl-2-pyrrolidone
45 CClF Chloro-Fluorides
46 CONCH2 Amides
47 OCCOH Oxygenated Alcohols
48 CH2S Sulfides
49 MORPHOLIN Morpholine
50 THIOPHENE Thiophene
51 CH2(cy) Cyclic hydrocarbon chains
52 C=C(cy) Cyclic unsaturated hydrocarbon chains
Table 2. NIST-UNIFAC and NIST-KT-UNIFAC subgroups, surface area parameter QG, volume parameter RG, and chemical examples
corresponding to the main groups given in Table 1.

Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
1 1 CH3- 0.8480 0.9011 hexane :(2) CH3, (4) CH2
2 1 -CH2- 0.5400 0.6744 hexane : (2) CH3, (4) CH2
3 1 -CH< 0.2280 0.4469 2-methylpropane: (3) CH3, (1) CH
4 1 >C< 0.0000 0.2195 2,2-dimethylpropane: (4) CH3, (1) C
5 2 CH2=CH- 1.1760 1.3454 hex-1-ene: (1) CH3, (3) CH2, (1) CH2=CH
6 2 -CH=CH- 0.8670 1.1167 hex-2-ene: (2) CH3, (2) CH2, (1) CH=CH
7 2 CH2=C< 0.9880 1.1173 2-methylbut-1-ene: (2) CH3, (1) CH2, (1) CH2=C
8 2 -CH=C< 0.6760 0.8886 2-methylbut-2-ene: (3) CH3, (1) CH=C
9 2 >C=C< 0.4850 0.6605 2,3-dimethylbut-2-ene: (4) CH3, (1) C=C
15 3 -ACH- 0.4000 0.5313 benzene: (6) ACH
16 3 >AC- (link) 0.1200 0.3652 1,1-biphenyl: AC(link) (2), ACH (10)
17 3 >AC- (cond) 0.0840 0.3125 naphthalene: (2) AC(cond), (8) ACH
18 4 >AC-CH3 0.9680 1.2663 methylbenzene: (1) ACCH3, (5) ACH
19 4 >AC-CH2- 0.6600 1.0396 ethylbenzene: (1) CH3, (5) ACH, (1) ACCH2
20 4 >AC-CH< 0.3480 0.8121 (1-methylethyl)-benzene: (2) CH3, (5) ACH, (1) ACCH
21 4 >AC-C<- 0.0840 0.5847 (1,1-dimethylethyl)-benzene: (1)ACC(1), (5)ACH, (3)CH3
34 5 -OH(primary) 1.2000 1.0000 propan-1-ol: (1) OH (primary), (2) CH2, (1) CH3
204 5 -OH(secondary) 1.2000 1.0000 propan-2-ol: (2) CH3, (1) CH2, (1) OH(secondary)
205 5 -OH(tertiary) 1.2000 1.0000 2-methylpropan-2-ol: (2) CH3, (1) C , (1) OH(tertiary)
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
35 6 CH3OH 1.4320 1.4311 methanol: (1) CH3OH
36 7 H2O 1.4000 0.9200 water: (1) H2O
37 8 >AC-OH 0.6800 0.8952 phenol: (1) ACOH, (5) ACH
42 9 CH3-CO- 1.4880 1.6724 butanone: (1) CH3, (1) CH2, (1) CH3CO
43 9 -CH2-CO- 1.1800 1.4457 pentan-3-one: (2) CH3, (1) CH2, (1) CH2CO
44 9 >CH-CO- 0.8680 1.2182 2,4-dimethylpentan-3-one: (1) CHCO, (1) CH, (4) CH3
45 9 ->C-CO- 0.6400 0.9908 2,2-dimethylbutan-3-one: (1) CCO, (1) CH3
48 10 -CHO 0.9480 0.9980 hexanal: (1) CHO, (4) CH2, (1) CH3
51 11 CH3-COO- 1.7280 1.9031 butyl ethanoate: (1) CH3, (3) CH2, (1) CH3COO
52 11 -CH2-COO- 1.4200 1.6764 methyl propanoate: (2) CH3, (1) CH2COO
53 11 >CH-COO- 1.1080 1.4489 methyl 2-methylpropanoate: (1) CHCOO, (3) CH3
54 11 ->C-COO- 0.8800 1.2215 ethyl 2,2-dimethylpropanoate: (1) CCOO, (4) CH3, (1) CH2
55 12 HCOO- 1.1880 1.2420 ethyl methanoate: (1) CH3, (1) CH2, (1) HCOO
59 13 CH3-O- 1.0880 1.1450 dimethyl ether: (1) CH3, (1) CH3O
60 13 -CH2-O- 0.7800 0.9183 diethyl ether: (2) CH3, (1) CH2, (1) CH2O
61 13 >CH-O- 0.4680 0.6908 diisopropyl ether: (4) CH3, (1) CH, (1) CH-O
62 13 ->CO- 0.2400 0.9183 di-tert-butyl ether: (6) CH3, (1) C, (1) C-O
63 13 -CH2-O- (cy) 1.1000 0.9183 tetrahydrofuran: (1) CH2O,cy (3) CH2,cy
66 14 CH3-NH2 1.5440 1.5959 methylamine: (1) CH3NH2
67 14 -CH2-NH2 1.2360 1.3692 Ethylamine: (1) CH2NH2, (1) CH3
68 14 >CH-NH2 0.9240 1.1417 2-propanamine: (1): (2) CH3, (1) CHNH2
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
69 14 ->C-NH2 0.6960 0.9275 2-methylpropan-2-amine: (2) CH3, (1) C-NH2
71 15 CH3-NH- 1.2440 1.4337 dimethylamine: (1) CH3, (1) CH3NH
72 15 -CH2-NH- 0.9360 1.2070 diethylamine: (1) CH2NH, (2) CH3, (1) CH2
73 15 >CH-NH- 0.6240 0.9795 diisopropylamine:: (4) CH2, (1) CH, (1) CHNH
74 16 CH3-N< 0.9400 1.1865 trimethylamine: (2) CH3, (1) CH3N
75 16 -CH2-N< 0.6320 0.9597 triethylamine: (3) CH3, (2) CH2, (1) CH2N
79 17 >AC-NH2 0.8160 1.0600 benzenamine: (1) ACNH2, (5) ACH
80 17 >AC-NH- 0.5160 0.8978 N-methylbenzenamine: (1) ACNH, (5) ACH, (1) CH3
81 17 >AC-N< 0.2120 0.6506 N,N-dimethylbenzenamine: (5) ACH, (1) ACN, (2) CH3
76 18 C5H5N 2.1130 2.9993 pyridine: (1) C5H5N
77 18 C5H4N- 1.8330 2.8332 2-methylpyridine: (1) C5H4N, (1) CH3
78 18 C5H3N< 1.5530 2.6670 2,3-dimethylpyridine: (1) C5H3N, (2) CH3
85 19 CH3-CN 1.7240 1.8701 ethanenitrile: (1) CH3CN
86 19 -CH2-CN 1.4160 1.6434 propanenitrile: (1) CH3, (1) CH2CN
87 19 >CH-CN 1.1040 1.4160 2-methylpropanenitrile: (1) CHCN, (2) CH3
88 19 ->C-CN 0.8760 1.1885 2,2-dimethylpropanenitrile: (1) CCN, (3) CH3
94 20 -COOH 1.2240 1.3013 ethanoic acid: (1) CH3, (1) COOH
95 20 HCOOH 1.5320 1.5280 methanoic acid: (1) HCOOH
99 21 -CH2-Cl 1.2640 1.4654 1-chlorobutane: (1) CH3, (2) CH2, (1) CH2Cl
100 21 >CH-Cl 0.9520 1.2380 2-chloropropane: (2) CH3, (1) CHCl
101 21 ->CCl 0.7240 1.0106 2-chloro-2-methylpropane: (3) CH3, (1) CCl
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
102 22 CH2Cl2 1.9880 2.2564 dichloromethane: (1) CH2Cl2
103 22 -CHCl2 1.6840 2.0606 1,1-dichloroethane: (1) CH3, (1) CHCl2
104 22 >CCl2 1.4480 1.8016 2,2-dichloropropane: (2) CH3, (1) CCl2
105 23 CHCl3 2.4100 2.8700 trichloromethane: (1) CHCl3
106 23 -CCl3 2.1840 2.6401 1,1,1-trichloroethane (1)
107 24 CCl4 2.9100 3.3900 tetrachloromethane: (1) CCl4
109 25 >AC-Cl 0.8440 1.1562 chlorobenzene: (5) ACH, (1) ACCl
132 26 CH3-NO2 1.8680 2.0086 nitromethane: (1) CH3NO2
133 26 -CH2-NO2 1.5600 1.7818 1-nitropropane (1): (1) CH3, (1) CH2, (1) CH2NO2
134 26 >CH-NO2 1.2480 1.5544 2-nitropropane: (2) CH3, (1) CHNO2
135 26 ->C-NO2 1.0200 1.3270 2-methyl-2-nitropropane: (1) CNO2, (3) CH3
136 27 >AC-NO2 1.1040 1.4199 nitrobenzene: (5) ACH, (1) ACNO2
146 28 CS2 1.6500 2.0570 carbon disulfide: (1) CS2
138 29 CH3-SH 1.6760 1.8770 methanethiol: (1) CH3SH
139 29 -CH2-SH 1.3680 1.6510 ethanethiol: (1) CH3, (1) CH2SH
140 29 >CH-SH 0.2280 1.4232 2-propanethiol: (1) CHSH, (2) CH3
141 29 ->C-SH 0.0000 1.1958 2-methyl-2-propanethiol: (1) CSH, (3) CH3
50 30 C5H4O2 2.4840 3.1680 2-furancarboxaldehyde: (1) FURFURAL
38 31 (CH2OH)2 2.2480 2.4088 1,2-ethanediol: (1) (CH2OH)2
128 32 -I 0.9920 1.2640 iodoethane: (1) CH3, (1) CH2, (1) I
130 33 -Br 0.8320 0.9492 bromoethane: (1) CH3, (1) CH2, (1) Br
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
13 34 CHC- 1.0880 1.2920 Hex-1-yne: (1) CH3, (3) CH2, (1) CHC
14 34 -CC- 0.7840 1.0613 Hex-2-yne: (1) CC, (2) CH3, (2) CH2
153 35 DMSO 2.4720 2.8266 dimethylsulfoxide: (1) CH3SOCH3
90 36 CH2=CH-CN 2.0520 2.3144 2-propenenitrile: (1) CH2=CHCN
108 37 Cl(C=C) 0.7240 0.7910 tetrachloroethene: (4) Cl(C=C), (1) C=C
118 38 >AC-F 0.5240 0.6948 hexafluorobenzene: (6) ACF
161 39 DMF 2.7360 3.0856 N,N-dimethylmethanamide: (1) DMF
162 39 -CON(CH3)2 2.4280 2.8589 N,N-dimethylethanamide: (1) CH3, (1) CON(CH3)2
163 39 -CON(CH2)(CH3)- 2.1200 2.6322 N-ethyl-N-methylethanamide: (2) CH3, (1) CONCH3CH2
164 39 HCON(CH2)2< 2.1200 2.6322 N,N-diethylmethanamide: (2) CH3, (1) HCON(CH2)2
165 39 -CON(CH2)2< 1.8120 2.4054 N,N-diethylethanamide: (1) CON(CH2)2, (3) CH3
111 40 CHF3 1.5480 1.5781 trifluoromethane: (1) CHF3
112 40 -CF3 1.3800 1.4060 perfluorohexane: (2) CF3, (4) CF2
113 40 -CHF2 1.1080 1.2011 1,1,2-trifluoroethane: (1) CHF2, (1) CH2F
114 40 >CF2 0.9200 1.0105 perfluorohexane: (2) CF3, (4) CF2
115 40 -CH2F 0.9800 1.0514 fluoroethane: (1) CH2F, (1) CH3
116 40 >CH-F 0.6680 0.8240 2-fluoropropane: (1) CHF, (2) CH3
117 40 ->CF 0.4600 0.6150 2-fluoro-2-methylpropane: (1) CF, (3) CH3
58 41 -COO- 1.2000 1.3800 methyl prop-2-enoate: (1) CH3, (1) CH2=CH, (1) COO
197 42 SiH3- 1.2630 1.6035 methylsilane: (1) CH3, (1) SiH3
198 42 -SiH2- 1.0060 1.4443 diethylsilane: (2) CH3, (2) CH2, (1) SiH2
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
199 42 >SiH- 0.7490 1.2853 1,1,1,3,3,5,5-heptamethyltrisiloxane: (7) CH3, (2) SiO, (1) SiH
200 42 >Si< 0.4100 1.0470 hexamethyldisiloxane: (6) CH3, (1) SiO, (1) Si
201 43 -SiH2-O- 1.0620 1.4838 1,3-dimethyldisiloxane: (2) CH3, (1) SiH2O, (1) SiH2
202 43 >SiH-O- 0.7640 1.3030 1,1,3,3-tetramethyldisiloxane: (4) CH3, (1) SiHO, (1) SiH
203 43 ->Si-O- 0.4660 1.1044 octamethylcyclotetrasiloxane: (8) CH3, (4) SiO
195 44 NMP 3.2000 3.9810 1-methyl-2-pyrrolidinone: (1) NMP
120 45 CCl3F 2.6440 3.0356 trichlorofluoromethane: (1) CCl3F
121 45 -CCl2F 1.9160 2.2287 tetrachloro-1,2-difluoroethane: (2) CCl2F
122 45 HCCl2F 2.1160 2.4060 diclorofluoromethane: (1) HCCl2F
123 45 -HCClF 1.4160 1.6493 1-chloro-1,2,2,2-tetrafluoroethane: (1) CF3, (1) HCClF
124 45 -CClF2 1.6480 1.8174 1,2-dichlorotetrafluoroethane: (2) CClF2
125 45 HCClF2 1.8280 1.9670 trichlorofluoromethane: (1) HCClF2
126 45 CClF3 2.1000 2.1721 chlorotrifluoromethane: (1) CClF3
127 45 CCl2F2 2.3760 2.6243 dichlorodifluoromethane: (1) CCl2F2
166 46 -CONH(CH3) 1.8840 2.2050 N-methylethanamide: (1) CH3, (1) CONHCH3
167 46 HCONH(CH2)- 1.8840 2.2050 N-ethylmethanamide: (1) HCONHCH2, (1) CH3
168 46 -CONH(CH2)- 1.5760 1.9782 N-ethylethanamide: (2) CH3, (1) CONHCH2
169 46 -CONH2 1.3360 1.4661 ethanamide: (1) CH3, (1) CONH2
39 47 -O-CH2-CH2-OH 1.9040 2.1226 2-ethoxyethanol: (1) C2H5O2, (1) CH3, (1) CH2
40 47 -O-CH-CH2-OH 1.5920 1.8952 2-ethoxypropan-1-ol: (1) C2H4O2, (2) CH3, (1) CH2
41 47 -O-CH2-CH-OH 1.5920 1.8952 1-methoxypropan-2-ol: (2) CH3, (1) C2H4O2
Subgroup Main
Subgroup Name QG RG Chemical Example
Number Goup
142 48 CH3-S- 1.3680 1.6130 dimethylsulfide: (1) CH3, (1) CH3S
143 48 -CH2-S- 1.0600 1.3863 diethylsulfide: (2) CH3, (1) CH2, (1) CH2S
144 48 >CH-S- 0.7480 1.1589 2,2'-thiobispropane: (4) CH3, (1) CH, (1) CHS
145 48 ->C-S- 0.5200 0.9314 2-methyl-2-(methylthio)-propane: (1) CS, (4) CH3
196 49 MORPHOLIN 2.7960 3.4740 morpholine: (1) MORPHOLIN
147 50 THIOPHENE 2.1400 2.8569 thiophene: (1) THIOPHENE
148 50 C4H3S- 1.8600 2.6908 2-methylthiophene: (1) C4H3S, (1) CH3
149 50 C4H2S< 1.5800 2.5247 2,3-dimethylthiophene: (1) C4H2S, (2) CH3
27 51 -CH2- (cy) 0.5400 0.6744 cyclohexane: (6) CH2,cy
28 51 >CH- (cy) 0.2280 0.4469 methylcylcohexane: (1) CH,cy, (5) CH2,cy, (1) CH3
29 51 >C< (cy) 0.0000 0.2195 1,1-dimethylcyclopentane: (1) C,cy ,(4) CH2,cy ,(2) CH3
30 52 -CH=CH- (cy) 0.8670 1.1167 cyclopentene: (1) CH=CH,cy, (3) CH2,cy
31 52 CH2=C< (cy) 0.9880 1.1173 methylenecyclohexane: (1) CH2=C,cy, (5) CH2,cy
32 52 -CH=C< (cy) 0.6760 0.8886 1-methylcyclopentene: (1) CH=C,cy, (3) CH2,cy, (1) CH3
Table 3. NIST-UNIFAC group-group interaction parameters (amk,1 and akm,1) and lower and
upper temperatures of the experimental data used for fitting (Tmin and Tmax).
group m group k amk,1 akm,1 Tmin (K) Tmax (K)
1 2 118.71 -70.32 278 519
1 3 42.79 16.82 280 536
1 4 10.78 -11.67 280 536
1 5 935.19 204.29 250 460
1 6 733.79 1.01 273 448
1 7 1257.87 328.15 250 460
1 8 1218.75 80.37 301 484
1 9 508.61 20.16 233 477
1 10 675.75 492.26 298 373
1 11 292.54 37.26 293 509
1 12 500.87 178.44 284 419
1 13 301.38 -46.57 267 443
1 14 444.43 10.48 218 373
1 15 307.89 -6.25 223 381
1 16 179.80 -59.18 253 359
1 17 735.59 849.10 288 623
1 18 221.48 -40.03 288 461
1 19 707.77 19.16 273 393
1 20 781.00 84.70 291 435
1 21 196.19 -31.62 272 397
1 22 66.30 33.00 288 406
1 23 52.99 20.37 293 365
1 24 24.78 14.02 260 397
1 25 239.46 128.41 293 473
1 26 479.93 83.76 293 399
1 27 513.66 363.49 293 463
1 28 98.64 17.55 298 298
1 29 234.93 7.68 253 383
1 30 420.05 -59.25 278 438
1 31 596.30 128.66 286 373
1 32 405.33 67.88 293 343
1 33 182.26 1.20 293 372
1 34 392.09 -66.40 298 429
1 35 40.16 126.19 293 378
1 36 394.52 -20.94 298 393
1 37 -7.51 28.96 293 395
1 38 234.14 67.86 283 370
1 39 323.56 -18.94 278 426
1 40 247.76 -266.70 273 348
1 41 362.59 32.00 363 363
1 42 -4303.26 -259.66 291 444
1 43 252.70 110.20 298 333
1 44 236.68 9.14 283 464
1 45 20.10 17.58 298 363
1 46 816.22 -8.90 363 413
1 47 528.73 33.25 298 473
1 48 334.22 -51.95 298 371
1 49 126.45 33.83 353 383
1 50 76.69 24.00 303 353
1 51 5.62 7.64 273 503
1 52 -189.96 421.85 325 447
2 3 -9.85 45.67 250 415
2 4 -29.80 40.87 250 415
2 5 629.22 266.72 260 421
2 6 768.88 -60.78 280 365
2 7 270.60 496.10 a a
2 8 1676.20 -189.04 393 462
2 9 179.78 21.64 293 393
2 10 654.44 -93.09 313 373
2 11 112.81 66.37 298 363
2 12 344.13 81.72 298 308
2 13 119.14 -37.33 284 373
2 14 323.60 -65.22 333 333
2 15 258.86 -86.09 333 333
2 16 569.41 -233.48 333 333
2 17 1008.87 132.39 277 401
2 18 280.50 -47.63 a a
2 19 336.90 -40.62 a a
2 20 1064.26 -84.69 303 343
2 21 151.52 6.29 293 373
2 22 -6.87 24.14 298 363
2 23 -3.22 33.25 333 333
2 24 -63.00 62.56 298 393
2 25 44.17 451.38 280 360
2 26 423.64 -107.24 293 338
2 27 0.00 0.00 353 393
2 28 76.30 16.62 a a
2 30 94.15 149.10 273 367
2 33 183.80 174.60 a a
2 34 116.58 49.84 298 429
2 35 648.87 -32.56 293 378
2 36 -52.87 573.00 a a
2 37 -52.35 219.10 293 395
2 38 359.30 -131.70 a a
2 39 -70.45 249.00 a a
2 40 529.92 215.64 273 348
2 41 48.33 1397.00 a a
2 44 190.90 -16.11 273 413
2 45 -2.04 0.30 251 298
2 46 600.37 -25.50 399 399
2 47 414.11 15.35 343 385
2 48 -617.00 543.60 a a
2 49 62.56 161.10 a a
2 50 3.36 24.11 323 333
2 51 -5.91 57.23 298 323
2 52 -226.53 371.27 308 388
3 4 107.42 103.69 273 448
3 5 603.23 128.36 273 494
3 6 523.77 -14.38 283 493
3 7 1467.20 227.35 284 442
3 8 1045.21 -133.49 301 484
3 9 -55.63 279.36 293 487
3 10 538.49 -114.53 298 393
3 11 -20.57 151.06 283 493
3 12 185.56 64.47 293 423
3 13 61.38 -61.69 250 426
3 14 187.92 -41.88 288 433
3 15 115.30 -62.71 293 352
3 16 84.84 -7.32 293 333
3 17 730.05 54.79 288 623
3 18 -46.02 88.01 288 412
3 19 186.95 -4.50 293 411
3 20 386.05 105.57 291 435
3 21 8.69 -15.41 250 428
3 22 -6.63 -16.68 283 416
3 23 -122.21 110.49 283 401
3 24 -1.31 3.09 273 473
3 25 26.34 1312.42 293 473
3 26 118.68 46.05 293 397
3 27 62.17 5561.74 293 463
3 28 64.34 13.94 293 350
3 29 109.97 -72.29 283 378
3 30 221.01 -36.88 293 431
3 31 210.40 221.40 a a
3 32 330.31 -79.29 293 363
3 33 159.39 -69.96 283 407
3 34 99.47 -23.10 289 407
3 35 174.51 -5.89 298 353
3 36 157.33 -59.49 283 412
3 37 0.10 15.08 283 409
3 38 -170.00 238.62 283 382
3 39 201.57 -119.46 278 434
3 40 -56.69 -139.46 293 313
3 41 103.50 317.60 a a
3 42 -530.07 -26.42 291 444
3 43 182.57 266.03 298 333
3 44 30.04 -23.88 a a
3 45 29.72 37.45 283 308
3 46 594.89 -141.63 414 414
3 47 467.25 -73.04 298 443
3 49 372.46 -205.45 354 401
3 50 125.14 -98.41 308 379
3 51 10.86 42.25 280 503
3 52 9.12 33.60 293 493
4 5 645.90 208.05 273 494
4 6 701.11 -43.14 283 493
4 7 5695.00 377.60 a a
4 8 687.33 697.13 301 484
4 9 283.23 64.48 293 487
4 10 259.09 4462.33 298 393
4 11 13.92 168.33 283 493
4 12 1174.91 -82.35 293 423
4 13 272.40 -19.26 250 426
4 14 243.06 92.64 288 433
4 15 491.76 -151.87 293 352
4 16 53.88 -4.12 293 333
4 17 568.33 318.83 288 623
4 18 166.77 -18.24 288 412
4 19 390.52 -46.41 293 411
4 20 2347.47 -75.08 291 435
4 21 -99.51 193.27 250 428
4 22 -147.32 223.92 283 416
4 23 374.03 -201.71 283 401
4 24 -12.76 -4.15 273 473
4 25 110.30 277.40 293 473
4 26 4.70 178.35 293 397
4 27 2158.31 177.12 293 463
4 28 -9.45 40.68 a a
4 29 358.92 -117.06 283 378
4 30 208.77 -107.04 293 431
4 31 4975.00 150.60 a a
4 32 137.75 7.22 293 363
4 33 -22.96 711.57 283 407
4 34 150.19 30.88 289 407
4 35 421.03 -11.42 298 454
4 36 100.86 -36.71 283 412
4 37 -1.98 9.57 283 409
4 38 -288.31 371.48 283 382
4 39 240.31 -81.63 278 434
4 40 89.08 2.98 293 313
4 41 69.26 615.80 a a
4 42 683.30 191.60 a a
4 43 355.50 221.80 a a
4 44 528.02 -72.22 273 448
4 47 166.24 350.38 298 443
4 49 107.47 99.31 354 401
4 50 404.89 33.10 308 379
4 51 23.57 110.34 280 503
4 52 -272.58 438.42 293 493
5 6 -28.65 67.66 273 488
5 7 521.75 -278.94 250 460
5 8 -2.95 -406.72 291 472
5 9 144.85 115.13 278 423
5 10 -469.97 4650.02 257 387
5 11 220.89 117.44 288 493
5 12 226.20 148.69 298 402
5 13 112.33 195.44 273 450
5 14 19.30 -259.42 288 390
5 15 -161.36 -129.37 293 428
5 16 -677.28 4525.81 283 363
5 17 4.75 26.48 298 410
5 18 114.65 -74.31 293 363
5 19 126.08 127.12 278 393
5 20 122.13 -143.62 293 431
5 21 101.78 586.10 273 422
5 22 65.28 527.60 a a
5 23 -74.15 780.04 293 425
5 24 117.69 794.08 273 401
5 25 1.60 848.39 293 448
5 26 135.08 292.52 291 398
5 27 67.31 446.91 293 481
5 28 277.81 867.15 293 319
5 29 147.50 461.60 a a
5 30 151.34 168.39 308 383
5 31 99.87 -36.06 286 373
5 32 296.61 557.02 293 399
5 33 122.26 452.06 278 402
5 34 212.02 262.18 298 412
5 35 -10.79 39.35 295 378
5 36 74.27 389.30 a a
5 37 408.36 699.24 298 402
5 38 44.78 649.70 a a
5 39 47.31 -2.49 293 445
5 40 543.04 1748.57 250 330
5 41 190.30 88.63 a a
5 42 -817.70 1913.00 a a
5 43 202.70 84.85 a a
5 44 -22.01 -89.76 298 468
5 45 1054.02 200.83 308 364
5 46 -217.42 277.09 313 333
5 47 70.49 17.10 298 453
5 49 95.47 -66.42 329 401
5 50 17.62 776.76 308 318
5 51 189.73 862.87 188 472
5 52 588.10 389.60 283 410
6 7 -271.38 500.28 273 442
6 8 -101.70 -265.20 a a
6 9 53.52 82.93 281 423
6 10 4624.20 -524.68 288 338
6 11 42.24 190.57 291 493
6 12 173.35 191.97 298 354
6 13 13.72 90.89 250 423
6 14 1585.21 -582.03 293 393
6 15 -150.72 -296.43 293 370
6 16 257.12 -439.75 283 356
6 17 272.20 -96.37 293 385
6 18 528.79 -337.04 293 413
6 19 87.02 131.23 278 352
6 20 -138.23 80.44 298 411
6 21 -36.28 523.16 298 355
6 22 -97.77 592.83 298 398
6 23 -156.08 740.41 293 337
6 24 -62.96 797.76 273 353
6 25 171.16 1079.11 293 387
6 26 82.16 284.22 293 388
6 27 380.12 443.51 293 423
6 28 66.54 737.51 293 337
6 29 8.10 476.89 263 313
6 30 103.35 122.80 298 434
6 31 -83.22 175.28 286 386
6 32 349.01 252.63 293 383
6 33 91.89 555.78 303 337
6 34 -21.19 598.30 298 329
6 35 -96.10 -57.64 293 333
6 36 -5.22 218.80 a a
6 37 46.89 582.38 253 390
6 38 -48.25 645.90 a a
6 39 -28.12 -8.75 293 416
6 40 -124.85 4501.94 250 330
6 41 165.70 171.00 a a
6 44 -148.32 47.86 298 393
6 45 -59.70 848.80 298 308
6 46 -38.26 -23.32 313 399
6 47 91.78 -88.42 298 374
6 48 31.85 414.37 263 336
6 49 123.67 -301.27 313 397
6 50 -29.01 546.62 308 354
6 51 20.57 676.01 283 338
6 52 -15.54 711.10 301 346
7 8 -15.03 -480.38 284 442
7 9 -223.88 601.19 278 515
7 10 11.07 152.76 283 420
7 11 315.27 -100.24 288 430
7 12 88.97 298.06 293 320
7 13 86.61 -140.21 273 394
7 14 992.54 -545.13 287 394
7 15 409.20 -525.11 283 372
7 16 175.52 -618.82 278 372
7 17 -31.77 5.24 284 442
7 18 459.00 -332.90 a a
7 19 182.80 138.35 278 411
7 20 -69.54 -103.86 281 517
7 21 556.84 82.19 293 371
7 22 215.60 371.31 283 346
7 23 353.70 826.80 a a
7 24 497.50 1201.00 a a
7 25 133.90 -274.50 a a
7 26 235.50 308.69 293 323
7 27 399.50 360.70 a a
7 28 887.10 1081.00 a a
7 30 188.00 23.48 a a
7 31 61.57 -185.65 286 471
7 33 777.1 79.18
7 35 -141.80 -233.88 296 442
7 36 269.15 239.90 303 372
7 39 870.84 -436.39 298 435
7 41 -197.50 284.40 a a
7 42 -363.80 180.20 a a
7 44 -432.62 764.22 293 471
7 46 835.60 -509.30 a a
7 47 425.71 -344.45 278 403
7 49 441.31 -399.13 298 401
8 9 -444.32 -109.46 291 465
8 10 -271.10 -155.60 a a
8 11 -475.50 13.84 318 470
8 12 -285.35 -162.05 300 320
8 13 -344.34 -169.48 319 452
8 14 -790.29 -674.98 353 433
8 17 263.47 -264.07 408 453
8 18 -741.68 -301.63 376 467
8 20 66.40 99.56 383 403
8 21 -213.08 622.14 357 452
8 22 -138.25 287.75 353 470
8 24 605.14 1391.77 293 323
8 25 862.56 1478.88 373 453
8 27 59.03 365.73 301 481
8 28 4369.86 1213.16 293 323
8 31 -687.10 838.40 a a
8 37 540.08 1207.06 360 447
8 39 -436.67 275.24 424 473
8 41 -494.20 -167.30 a a
8 44 -691.98 -206.23 394 394
8 47 -509.41 -177.51 363 383
8 50 1005.00 810.50 a a
8 51 46.35 1621.07 293 462
9 10 74.84 -12.12 294 373
9 11 -0.50 43.28 293 388
9 12 -214.11 366.60 313 363
9 13 -59.72 61.82 273 393
9 15 -54.08 132.21 298 398
9 16 -151.59 231.49 293 373
9 17 944.91 -501.50 277 387
9 18 -76.57 81.13 293 376
9 19 -57.22 56.83 293 400
9 20 603.34 -280.26 293 435
9 21 -82.30 119.49 293 398
9 22 -117.25 33.80 273 403
9 23 -384.58 748.47 273 387
9 24 -119.12 505.05 273 350
9 25 -62.59 5591.05 298 413
9 26 -25.38 -50.54 298 397
9 27 6162.50 -353.30 293 420
9 28 202.28 302.01 273 329
9 29 -73.88 170.91 313 313
9 30 502.57 -229.42 331 383
9 31 121.28 132.76 323 323
9 32 235.10 -18.58 253 326
9 33 652.00 -245.22 298 352
9 34 -246.60 443.60 a a
9 35 -15.18 169.56 298 449
9 36 33.62 -78.07 307 323
9 37 -143.54 916.60 273 385
9 39 -114.76 210.20 293 425
9 41 -18.80 123.40 a a
9 42 -1529.06 3453.10 293 308
9 44 -46.38 13.79 298 459
 9 45 -75.30 444.08 293 363
9 47 200.37 -28.48 303 396
9 50 -162.60 278.80 a a
9 51 90.85 364.66 283 466
10 11 12.21 101.19 294 373
10 12 974.72 -246.73 294 365
10 13 338.33 5.14 293 304
10 19 -106.4 224.66 a a
10 20 290.14 -89.43 293 381
10 21 1015.74 -85.20 293 318
10 22 39.13 218.72 300 306
10 23 -483.70 242.80 a a
10 29 -310.37 -470.86 313 313
10 32 93.00 241.43 293 313
10 34 163.10 -155.72 314 362
10 36 -339.20 354.00 a a
10 37 172.40 183.80 a a
10 39 -74.37 302.99 313 313
10 41 -275.50 577.50 a a
10 47 3718.80 -240.43 313 333
10 51 425.60 670.53 298 318
11 12 -273.00 1442.47 328 417
11 13 323.95 -227.29 323 415
11 15 -106.82 182.52 295 398
11 16 -323.67 2934.53 273 363
11 17 238.40 -327.49 293 398
11 18 -85.87 38.26 303 423
11 19 9.94 -17.16 293 453
11 20 337.31 -140.16 293 464
11 21 -27.79 53.15 298 403
11 22 -252.31 266.51 293 398
11 23 -366.88 579.77 298 393
11 24 302.07 -56.83 293 459
11 25 425.70 -87.39 313 393
11 26 105.63 -131.31 298 398
11 27 -14.55 88.94 293 293
11 28 131.80 250.70 313 327
11 30 153.93 -134.99 298 432
11 31 192.03 55.52 399 462
11 32 190.86 19.49 293 344
11 33 18.88 24.37 a a
11 34 -174.21 275.76 298 404
11 35 841.54 -89.35 298 318
11 36 1065.09 -366.41 353 388
11 37 -336.34 1224.47 298 398
11 39 -16.44 96.64 298 428
11 41 560.20 -234.90 a a
11 45 -26.04 232.42 298 308
11 47 87.43 43.81 298 407
11 51 104.66 208.78 293 397
12 13 1.62 0.03 273 353
12 18 -233.40 554.40 a a
12 19 -51.79 50.92 323 323
12 20 -186.89 242.90 307 380
12 23 -309.76 629.67 298 318
12 24 37.61 368.71 318 318
12 25 -26.03 5334.65 323 323
12 29 -1.10 230.86 313 313
12 33 171.85 -27.52 327 341
12 37 75.31 152.94 322 333
12 39 127.71 -53.37 264 424
12 41 -122.30 145.40 a a
12 47 103.39 110.41 308 353
12 51 213.29 460.68 298 350
13 14 -78.36 222.10 a a
13 15 251.50 -56.08 a a
13 16 5425.13 -200.35 293 294
13 17 478.54 -154.15 293 363
13 18 213.20 -156.10 a a
13 19 -20.54 -37.81 294 388
13 20 623.72 -395.83 293 372
13 21 -62.89 -6.96 288 370
13 22 102.49 -200.55 298 313
13 23 -154.30 -20.93 a a
13 24 544.69 -139.04 293 387
13 25 -20.27 7210.77 345 397
13 26 -39.22 -51.26 294 294
13 27 -210.36 3762.81 293 293
13 28 27.39 190.90 290 308
13 29 -94.71 88.43 313 313
13 30 136.18 -92.26 368 388
13 31 -20.11 9.21 a a
13 32 -184.50 672.05 308 308
13 33 -454.10 904.51 293 298
13 34 -204.99 411.02 298 406
13 35 128.80 -93.51 a a
13 37 -307.15 675.11 313 341
13 38 -274.00 167.30 a a
13 39 254.13 -85.52 341 424
13 40 31.99 28.08 278 358
13 41 417.00 -247.80 a a
13 42 1338.00 448.50 a a
13 44 109.17 -65.74 298 373
13 45 -305.44 467.14 283 363
13 47 5504.98 -339.82 313 400
13 48 -43.36 160.26 333 343
13 50 -220.82 222.32 333 343
13 51 0.45 196.08 267 443
13 52 5500.70 244.14 344 353
14 15 -9.28 -2.11 298 354
14 16 -67.11 -12.82 223 293
14 17 -200.70 -15.07 a a
14 19 358.90 -157.30 a a
14 21 -82.92 131.20 a a
14 24 -88.57 236.87 253 293
14 25 30.05 108.50 a a
14 29 -52.83 101.49 313 313
14 35 874.19 -366.51
14 39 -164.00 49.70 a a
14 42 -664.40 961.80 a a
14 43 275.90 -125.20 a a
14 47 -220.73 28.62 333 353
15 16 -48.09 36.06 287 364
15 17 138.54 64.3
15 18 431.49 -207.66
15 19 165.08 -167.07 298 398
15 24 -41.39 69.22 253 313
15 25 26.76 5623.34 293 413
15 31 939.07 -213.74
15 38 -423.74 493.73 308 308
15 39 -255.22 10.03
15 41 -38.77 284.50 a a
15 42 448.10 1464.00 a a
15 43 -1327.00 1604.00 a a
15 51 23.94 233.17 302 314
16 17 287.43 -24.46
16 19 1255.10 -446.86
16 21 -182.91 151.38
16 22 -86.80 -172.86 283 298
16 23 -347.00 -306.48 283 298
16 24 -364.70 626.52 253 347
16 25 -181.90 2951.00 a a
16 35 243.10 -257.20 a a
16 38 -196.30 116.50 a a
16 39 267.71 -104.82 323 353
17 18 150.52 65.89 361 446
17 19 -281.60 777.40 a a
17 20 -396.00 493.80 a a
17 21 -17.48 602.38 298 298
17 22 -111.00 140.80 a a
17 23 118.23 352.25 293 308
17 24 573.03 698.60 293 323
17 25 317.48 502.13 293 430
17 27 -139.30 134.90 a a
17 31 -32.06 216.79 368 418
17 39 -470.08 865.54 298 454
17 41 -89.42 -22.10 a a
17 51 412.69 893.42 288 398
18 19 152.94 -138.32 356 395
18 20 -177.16 -225.53 394 412
18 22 -341.28 541.62 303 303
18 23 -354.60 499.68 293 387
18 24 -137.46 216.47 298 323
18 25 156.28 86.18 303 303
18 27 2845.00 2475.00 a a
18 33 -146.58 54.40 303 313
18 37 160.70 281.60 a a
18 38 -158.80 159.80 a a
18 39 8.31 -42.48 389 424
18 50 -136.60 221.40 a a
18 51 -44.45 254.79 283 378
19 20 275.03 -29.37 298 318
19 21 -20.56 51.00 299 398
19 22 -164.70 259.34 298 398
19 23 -242.25 484.73 293 346
19 24 -36.63 476.62 293 353
19 25 116.59 1093.83 293 403
19 26 -107.81 128.00 298 398
19 28 230.90 335.70 a a
19 29 -4.44 161.60 313 313
19 31 183.39 165.39 323 323
19 33 -129.27 37.25 335 352
19 34 -154.97 215.04 273 369
19 36 81.57 -42.31 a a
19 37 -16.79 412.54 293 373
19 39 -151.50 150.60 a a
19 41 120.30 -61.60 a a
19 47 203.90 -55.17 321 395
19 51 22.15 461.03 298 366
20 21 45.34 424.51 303 390
20 22 -44.70 543.30 a a
20 23 -145.18 912.66 293 387
20 24 27.78 620.20 293 410
20 25 439.79 5939.93 313 401
20 26 -128.93 431.38 298 298
20 30 -42.73 263.53 369 422
20 31 -129.13 125.01 298 363
20 32 382.33 453.24 398 398
20 33 392.22 148.98 345 411
20 35 -463.60 -180.20 a a
20 37 186.42 518.43 303 378
20 39 -603.66 978.41 298 444
20 41 -337.00 1179.00 a a
20 42 169.30 2450.00 a a
20 43 127.20 2496.00 a a
20 44 -226.00 -65.45 401 475
20 46 -322.30 -70.25 a a
20 47 -438.42 855.87 353 373
20 51 62.55 770.24 291 412
21 22 137.19 -109.19 293 416
21 23 81.90 -63.66 283 356
21 24 60.87 12.56 283 355
21 25 -46.82 6343.08 298 398
21 26 117.74 -62.75 293 398
21 27 86.20 1971.00 a a
21 28 450.10 -73.09 a a
21 29 59.02 -27.94 a a
21 30 -111.22 143.22 362 428
21 32 2.22 179.25
21 33 -32.52 -49.26 288 368
21 35 131.06 -131.37 298 437
21 36 120.11 -88.93 349 354
21 37 32.20 45.17 293 391
21 39 139.51 -112.65 298 432
21 41 63.67 182.20 a a
21 44 140.00 -156.45 298 333
21 51 50.77 73.00 283 368
22 23 16.72 -10.87 298 432
22 24 18.61 39.44 283 328
22 25 54.04 598.04 298 398
22 26 101.78 -10.63 293 398
22 30 -25.42 16.36 318 427
22 32 174.49 -49.36 283 303
22 33 -66.25 -81.94 298 410
22 35 564.35 -319.44 298 455
22 36 -184.11 205.11 351 410
22 37 -62.15 271.60 298 417
22 39 882.66 -393.23 298 421
22 40 43.98 184.02 303 323
22 41 -96.87 305.40 a a
22 44 -433.44 661.73 298 469
22 47 338.85 -164.98 303 419
22 51 36.44 51.15 283 415
23 24 8.92 15.82 283 347
23 25 704.93 -102.30 291 433
23 28 116.60 -26.06 a a
23 30 -64.38 48.48 a a
23 32 -108.70 397.99 298 308
23 33 22.61 -46.03 298 401
23 35 62.71 -222.16 293 428
23 37 -3.99 107.88 322 346
23 39 514.86 -250.98 335 409
23 41 255.80 -193.00 a a
23 44 2.89 -131.60 298 439
23 47 -246.62 1015.79 303 303
23 48 430.40 -345.00 278 340
23 51 23.32 35.57 291 350
24 25 12.89 679.24 293 400
24 26 352.71 18.41 293 349
24 27 394.01 521.46 293 298
24 28 49.37 7.02 283 323
24 30 487.13 -111.42 300 398
24 32 372.11 -93.96 293 323
24 33 114.42 49.23 283 323
24 35 337.70 -58.43 a a
24 36 370.30 -83.84 303 323
24 37 21.54 17.00 283 393
24 38 8.64 110.62 303 343
24 39 425.70 -175.15 298 333
24 40 27.05 -64.74 253 313
24 41 256.50 335.70 a a
24 42 -1692.33 495.88 291 444
24 43 69.74 176.26 298 333
24 47 619.93 -115.11 298 394
24 48 -172.23 524.50 278 298
24 50 19.22 -0.14 298 343
24 51 5.46 1.17 283 373
25 26 5797.57 94.24 298 398
25 27 1006.07 -281.62 353 476
25 33 648.22 15.05 348 373
25 35 -93.11 580.16 405 445
25 36 254.90 267.56 350 385
25 37 4071.94 -186.53 364 402
25 39 351.01 402.57 403 419
25 40 309.58 33.95
25 41 -71.18 956.10 a a
25 44 -209.70 161.50 a a
25 47 434.10 7.08 a a
25 51 215.88 192.06 293 404
26 27 175.36 115.85 377 459
26 28 320.20 277.80 a a
26 31 139.80 481.30 a a
26 32 304.30 64.28 a a
26 33 9.10 179.13 348 393
26 34 -158.02 683.74 298 343
26 37 28.15 517.13 290 369
26 39 -223.10 223.60 a a
26 41 248.40 -124.70 a a
26 45 -218.90 844.00 a a
26 50 -4.57 176.30 a a
26 51 92.22 524.09 293 352
27 32 2990.00 2448.00 a a
27 33 -124.00 4288.00 a a
27 35 1133.53 -62.55 298 479
27 36 442.44 107.19 350 423
27 39 755.22 -96.44 298 476
27 51 596.02 653.63 293 353
28 32 137.02 69.29 283 319
28 37 -54.06 174.66 298 318
28 40 387.67 464.74 273 298
28 41 469.80 885.50 a a
28 45 150.94 143.82 273 348
28 51 6.54 72.94 288 308
29 35 136.43 -28.92 313 313
29 39 -83.08 142.72 293 323
29 44 15210.46 -278.21 303 323
29 48 -18.27 6.97 a a
29 51 4838.93 -143.28 313 343
30 37 -211.77 623.81 360 432
30 41 43.37 -64.28 a a
30 51 53.44 253.07 293 421
31 35 -232.60 106.64 308 373
31 39 196.38 -130.94 373 373
31 41 347.80 -264.30 a a
31 44 -262.00 262.00 a a
31 47 -258.10 452.73 335 459
32 33 63.62 -45.32 290 303
32 41 68.55 288.10 a a
32 51 275.40 213.58 298 298
33 35 -86.19 25.71 298 308
33 37 -48.33 322.42
33 38 179.98 -67.73 359 403
33 39 336.25 -176.26
33 41 -195.10 627.70 a a
33 51 114.79 194.16 288 353
34 37 2073.00 631.50 a a
34 39 -51.43 75.48 283 343
35 37 7.26 -6.68 298 446
 35 39 12.69 19.58 298 373
35 41 153.70 -29.34 a a
36 37 108.84 -270.85 288 345
36 39 -66.62 28.86 351 418
36 41 423.40 -53.91 a a
36 51 -12.60 377.38 304 323
37 39 479.83 -220.79 360 416
37 40 -323.44 199.34 303 323
37 41 730.80 -198.00 a a
37 44 26.35 -66.31 a a
37 48 2429.00 148.90 a a
37 51 35.68 28.97 283 360
38 39 -134.49 200.22 361 417
38 40 -117.20 185.60 a a
38 44 -217.62 1035.76 361 425
38 51 59.59 109.94 283 348
39 40 -5.58 55.80 a a
39 41 72.31 -28.65 a a
39 45 -335.53 229.98 283 363
39 50 -270.35 528.93 359 407
39 51 56.76 218.22 283 424
40 45 111.80 -32.17 a a
41 47 122.40 101.20 a a
42 43 3497.16 2241.09 291 444
43 51 96.29 228.46 291 308
44 51 96.16 115.73 281 418
45 51 85.54 -22.43 298 363
47 51 51.18 483.32 293 473
48 51 13.24 220.65 298 353
49 51 12.05 134.25 363 393
50 51 12.19 73.91 298 348
51 52 133.06 -12.87 293 439
a
Tmin and Tmax are not provided because these parameters were not updated in the present
evaluation. The parameters are those listed in references [27] and are included here for
completeness.
Table 4. NIST-KT-UNIFAC group-group interaction parameters (amk,1, akm,1, amk,2, and akm,2)
and lower and upper temperatures of the experimental data used for fitting (Tmin and Tmax).

groupm groupk amk,1 akm,1 amk,2 akm,2 Tmin(K) Tmax(K)

1 2 200.44 -125.07 -0.0914 -0.0174 278 519
1 3 138.06 -61.60 -0.1279 -0.1955 280 536
1 4 81.62 -66.01 0.1942 -0.1672 280 536
1 5 903.06 377.33 0.6439 -4.0522 250 460
1 6 705.27 6.29 1.3735 -0.2254 273 448
1 7 1078.58 226.01 -3.4707 1.5918 250 460
1 8 1358.59 90.08 -2.0563 -1.4471 301 484
1 9 550.00 -3.43 0.2977 -1.0917 233 477
1 10 695.25 1730.87 -1.9538 5.9791 298 373
1 11 294.10 61.53 -0.7118 -0.3446 293 509
1 12 546.95 227.38 -0.9986 -2.3294 284 419
1 13 328.52 -81.81 0.1700 -0.5946 267 443
1 14 479.03 -49.12 -0.6759 -0.7769 218 373
1 15 339.55 -60.59 0.9312 -2.4976 223 381
1 16 487.46 -249.20 1.7410 -1.2785 253 359
1 17 740.21 1340.90 0.0000 0.0000 288 623
1 18 329.85 -83.30 -0.7118 -0.1867 288 461
1 19 707.02 39.63 0.0479 -0.9930 273 393
1 20 773.82 39.08 2.1345 -0.9834 291 435
1 21 242.40 -53.54 -0.1033 -0.3476 272 397
1 22 98.85 16.92 -0.4135 0.0854 288 406
1 23 89.40 -15.48 -0.0727 -0.1074 293 365
1 24 53.03 -20.19 0.0968 -0.1572 260 397
1 25 98.31 118.84 -2.3508 0.8299 293 473
1 26 524.94 62.46 -0.3241 -0.7035 293 399
1 27 375.18 134.08 -1.2807 0.8803 293 463
1 28 89.57 17.61 -0.0681 -0.0038 298 298
1 29 276.19 -26.09 -1.4866 1.3794 253 383
1 30 223.90 82.55 2.5307 -1.7869 278 438
1 31 1115.78 123.26 -4.5495 -0.0689 286 373
1 32 423.65 74.25 0.0533 -1.3130 293 343
1 33 456.14 -15.92 -0.8331 0.3215 253 372
1 34 259.97 70.19 -1.2486 0.5047 298 429
1 35 522.78 71.05 3.4761 -1.3396 293 378
1 36 462.23 -51.01 0.6584 -0.7121 298 393
1 37 -1.59 -1.77 -0.0091 0.6320 293 395
1 38 460.98 -6.00 0.7354 -0.3634 283 370
1 39 297.26 31.69 0.4124 -1.2186 a a
1 40 863.25 -151.76 0.5876 -1.3125 273 348
1 41 362.59 32.00 0.0000 0.0000 363 363
1 42 1346.26 -229.70 0.3637 -0.8889 293 308
1 43 252.70 110.20 0.0000 0.0000 a a
1 44 262.05 2.92 0.0876 -0.3258 283 464
1 45 39.36 -5.09 0.1726 -0.2386 298 363
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12 37 137.34 235.03 0.0000 0.0000 322 333
12 39 0.51 36.78 0.0000 0.0000 264 424
12 41 -122.30 145.40 0.0000 0.0000 a a
12 47 28.82 154.23 7.2720 -4.5549 308 353
12 51 234.89 539.78 -2.8391 -0.7233 298 350
13 14 69.62 30.98 0.3271 0.0661 a a
13 15 251.50 -56.08 0.0000 0.0000 a a
13 16 71.40 -40.82 0.0000 0.0000 293 294
13 17 378.02 -15.02 0.0000 0.0000 293 363
13 18 213.20 -156.10 0.0000 0.0000 a a
13 19 621.01 -359.31 -4.1448 0.3263 294 388
13 20 623.72 -395.83 0.0000 0.0000 293 372
13 21 130.12 -145.39 3.3854 -1.4104 288 370
13 22 -53.22 -131.54 1.0146 0.4159 298 313
13 23 -490.54 890.14 0.3043 -2.6001 273 393
13 24 -114.43 177.84 -1.8155 3.0986 293 387
13 25 -322.26 2639.88 0.0000 0.0000 345 397
13 26 -33.29 -56.70 0.0000 0.0000 294 294
13 27 -96.50 6.01 0.0000 0.0000 293 293
13 28 63.77 157.11 -8.4069 8.8880 290 308
13 29 -116.36 108.42 0.0000 0.0000 313 313
13 30 -377.91 85.17 5.0848 -1.6822 368 388
13 31 -20.11 9.21 0.0000 0.0000 a a
13 32 -190.52 640.56 0.0000 0.0000 308 308
13 33 -312.19 -127.72 0.0000 0.0000 293 298
13 34 -136.55 121.75 -0.7080 1.8534 298 406
13 35 128.80 -93.51 0.0000 0.0000 a a
13 37 -317.13 673.04 0.2463 1.9915 313 341
13 38 -274.00 167.30 0.0000 0.0000 a a
13 39 281.31 -218.24 2.8804 1.7256 341 424
13 40 -242.37 273.57 -0.2219 -1.0582 278 358
13 41 417.00 -247.80 0.0000 0.0000 a a
13 42 1338.00 448.50 0.0000 0.0000 a a
13 44 -151.84 170.43 0.0000 0.0000 298 373
13 45 82.01 -75.21 6.5707 -3.1508 276 363
13 47 2963.29 -467.73 14.6756 2.3141 313 400
13 48 -54.46 177.64 0.0000 0.0000 333 343
13 50 -179.69 129.83 -0.4431 1.4469 333 343
13 51 -121.50 356.29 -1.2262 1.2820 267 443
13 52 -25.81 283.79 0.0000 0.0000 344 353
14 15 -163.89 258.01 0.0000 0.0000 298 354
14 16 73.82 -95.53 0.5539 -0.2239 223 293
14 17 -200.70 -15.07 0.0000 0.0000 a a
14 19 -38.25 153.47 0.2753 -0.2777 a a
14 21 -82.92 131.20 0.0000 0.0000 a a
14 24 -98.33 240.77 -0.1263 -0.3594 253 293
14 25 30.05 108.50 0.0000 0.0000 a a
14 29 -52.76 101.40 0.0000 0.0000 313 313
14 39 -164.00 49.70 0.0000 0.0000 a a
14 42 -664.40 961.80 0.0000 0.0000 a a
14 43 275.90 -125.20 0.0000 0.0000 a a
14 47 -323.88 20.73 2.0593 -0.0920 333 353
14 51 -176.04 779.45 1.0699 -5.2092 a a
15 16 171.93 -61.68 -0.5940 -0.4769 287 364
15 19 971.21 -360.64 7.5050 -0.9108 298 398
15 24 -56.89 79.28 -0.9611 0.4817 253 313
15 25 -123.62 432.42 0.0000 0.0000 293 413
15 38 -463.75 455.42 0.0000 0.0000 308 308
15 41 -38.77 284.50 0.0000 0.0000 a a
15 42 448.10 1464.00 0.0000 0.0000 a a
15 43 -1327.00 1604.00 0.0000 0.0000 a a
15 51 33.62 229.80 -5.5946 2.9374 302 314
16 22 -260.43 45.68 0.0000 0.0000 283 298
16 23 -406.63 -104.28 -1.9634 6.6193 283 298
16 24 -179.40 86.64 0.6648 0.3978 253 347
16 25 -181.90 2951.00 0.0000 0.0000 a a
16 35 243.10 -257.20 0.0000 0.0000 a a
16 38 -211.56 323.03 -1.0909 1.4693 a a
16 39 -84.40 178.72 0.0000 0.0000 323 353
17 18 181.16 -157.81 4.0442 -0.5032 298 446
17 19 1356.78 -178.82 -5.2690 -1.0238 293 393
17 20 -396.00 493.80 0.0000 0.0000 a a
17 21 243.22 442.54 0.0000 0.0000 298 298
17 22 -111.00 140.80 0.0000 0.0000 a a
17 23 131.04 384.41 1.4629 -1.1941 293 308
17 24 469.01 752.24 -3.0076 0.6498 293 323
17 25 562.82 333.47 3.5113 -0.3744 293 430
17 27 -139.30 134.90 0.0000 0.0000 a a
17 31 -32.06 216.79 0.0000 0.0000 368 418
17 39 -231.84 36.85 2.1163 -1.2105 298 454
17 41 -89.42 -22.10 0.0000 0.0000 a a
17 51 1228.99 1059.64 -6.0446 -4.0307 288 398
18 19 170.50 -136.03 0.0000 0.0000 356 395
18 20 -423.04 -165.95 2.4219 -0.7722 293 412
18 22 -99.35 -2.05 0.0000 0.0000 303 303
18 23 -143.66 43.48 -2.4251 4.2147 293 387
18 24 -194.90 334.40 -0.0855 -0.1954 298 323
18 25 -56.11 190.97 0.0000 0.0000 303 303
18 27 2845.00 2475.00 0.0000 0.0000 a a
18 33 -170.78 83.75 -1.7257 3.6707 298 313
18 37 -180.92 376.75 0.0000 0.0000 323 373
18 38 67.33 -23.03 -0.7939 0.7499 a a
18 39 8.31 -42.48 0.0000 0.0000 389 424
18 50 -47.15 96.57 0.0000 0.0000 a a
18 51 -66.17 305.03 -0.5058 0.0354 283 378
19 20 284.56 -62.67 1.2309 -0.3538 298 318
19 21 -9.65 61.07 0.7279 -0.5124 299 398
19 22 -66.74 88.76 -1.7330 3.1870 298 398
19 23 -29.15 74.11 4.1830 -3.9109 293 346
19 24 -36.77 480.35 -0.3228 0.5661 293 353
19 25 230.32 165.15 -1.1815 -0.6645 293 403
19 26 76.00 -68.46 0.0000 0.0000 298 398
19 28 231.43 334.68 0.0085 0.0100 a a
19 29 -4.44 161.60 0.0000 0.0000 313 313
19 31 217.33 142.35 -0.8676 0.2749 323 323
19 33 61.01 -1.25 0.0000 0.0000 335 352
19 34 -47.82 66.91 -3.3456 3.3253 273 369
19 36 -101.60 132.53 -0.6031 1.6364 a a
19 37 -51.72 510.65 0.7063 1.5297 293 373
19 39 -199.74 189.36 -0.5657 0.6870 a a
19 41 120.30 -61.60 0.0000 0.0000 a a
19 47 2.29 100.14 3.1862 -2.1049 321 395
19 51 0.19 529.65 0.4802 -1.0967 298 366
20 21 74.29 357.99 -0.7776 1.9270 303 390
20 22 593.13 196.54 0.8134 -4.0050 a a
20 23 -5.02 345.45 0.3908 1.2633 293 387
20 24 48.08 525.87 -0.4939 1.7538 293 410
20 25 -212.16 1389.51 6.3518 -7.8415 313 401
20 26 -134.58 436.80 0.0000 0.0000 298 298
20 30 -97.41 303.67 0.0000 0.0000 369 422
20 31 -250.51 308.23 -1.0089 1.5687 298 363
20 32 399.39 391.52 0.0000 0.0000 398 398
20 33 516.22 120.75 0.0000 0.0000 345 411
20 35 -492.02 -71.64 -0.4652 1.2272 295 399
20 37 224.85 323.50 -1.8893 6.0135 303 378
20 39 -246.65 -191.93 1.3411 0.1067 298 444
20 41 -337.00 1179.00 0.0000 0.0000 a a
20 42 169.30 2450.00 0.0000 0.0000 a a
20 43 127.20 2496.00 0.0000 0.0000 a a
20 44 -252.10 -53.33 0.0000 0.0000 401 475
20 46 -322.30 -70.25 0.0000 0.0000 a a
20 47 -414.14 646.07 0.0000 0.0000 353 373
20 51 94.39 662.22 -1.0150 1.5514 291 412
21 22 212.55 -158.87 0.1903 -0.2006 293 416
21 23 31.28 -19.74 0.3209 -0.2171 283 356
21 24 -7.68 83.75 -0.4531 0.4162 283 355
21 25 116.22 92.73 -0.9685 -1.2862 298 398
21 26 143.50 -35.64 0.1603 -0.0404 293 398
21 27 86.20 1971.00 0.0000 0.0000 a a
21 28 450.10 -73.09 0.0000 0.0000 a a
21 29 59.02 -27.94 0.0000 0.0000 a a
21 30 -111.22 143.22 0.0000 0.0000 362 428
21 33 110.78 -53.22 -0.1118 0.2638 288 368
21 35 131.06 -131.37 0.0000 0.0000 298 437
21 36 120.11 -88.93 0.0000 0.0000 349 354
21 37 97.88 -29.90 -1.0532 1.1906 293 391
21 39 184.88 -147.67 -1.8335 1.1786 298 432
21 41 63.67 182.20 0.0000 0.0000 a a
21 44 173.91 -168.74 3.4048 -1.6749 298 333
21 51 31.02 114.47 0.2229 -0.7208 283 368
22 23 -66.92 83.41 1.2050 -1.5792 298 432
22 24 8.97 51.75 0.3257 -0.5312 283 328
22 25 317.85 -8.96 -1.0097 -1.6540 298 398
22 26 134.69 -30.79 -0.2162 0.0553 293 398
22 30 -25.42 16.36 0.0000 0.0000 318 427
22 32 195.41 -66.48 0.5829 -0.7516 283 303
22 33 94.18 -50.69 -1.2647 1.0935 298 410
22 35 456.64 -284.91 -0.8805 0.4399 298 455
22 36 -184.11 205.11 0.0000 0.0000 351 410
22 37 -105.21 390.70 -0.1117 1.5954 298 417
22 39 448.48 -271.57 -2.6463 1.5787 298 421
22 40 45.63 152.82 -6.0443 17.6681 303 323
22 41 -96.87 305.40 0.0000 0.0000 a a
22 44 673.48 -448.59 0.0000 0.0000 298 469
22 47 -53.34 242.02 0.0000 0.0000 303 419
22 51 25.23 61.36 0.1665 -0.5094 283 415
23 24 8.26 14.24 0.0942 -0.1554 283 347
23 25 112.35 151.16 -0.9759 -1.2015 291 433
23 28 52.95 33.20 -0.7398 0.4660 a a
23 30 -64.38 48.48 0.0000 0.0000 a a
23 32 35.71 87.61 0.0000 0.0000 298 308
23 33 92.81 -24.13 0.9563 -0.5130 298 401
23 35 200.95 -285.28 4.2081 -2.5383 293 428
23 37 -40.96 177.47 0.0000 0.0000 322 346
23 39 514.86 -250.98 0.0000 0.0000 335 409
23 41 255.80 -193.00 0.0000 0.0000 a a
23 44 -33.71 -112.75 0.0000 0.0000 298 439
23 47 -248.64 4507.97 0.0000 0.0000 303 303
23 48 150.59 -245.89 1.5300 -0.4588 278 340
23 51 -13.03 69.45 0.0433 -0.2708 291 350
24 25 -5.21 235.66 -1.4338 -1.1766 293 400
24 26 435.90 18.95 -1.6522 -1.2829 293 349
24 27 558.78 -89.21 0.0000 0.0000 293 298
24 28 96.28 -34.41 0.1879 -0.2227 283 323
24 30 455.17 -83.38 0.2948 -0.3507 300 398
24 32 276.55 -18.84 0.5814 -0.7453 293 323
24 33 56.28 171.78 -0.9239 1.6029 283 323
24 35 336.91 -58.98 0.3964 0.0187 a a
24 36 370.30 -83.84 0.0000 0.0000 303 323
24 37 -68.93 111.17 -2.0320 3.8504 283 393
24 38 -72.83 222.60 -1.0414 1.8105 303 343
24 39 375.31 -154.26 0.1094 0.0645 298 333
24 40 532.14 -297.75 2.4390 -2.7125 253 313
24 41 256.50 335.70 0.0000 0.0000 a a
24 42 -1692.33 495.88 0.0000 0.0000 291 444
24 43 25.17 347.39 0.0000 0.0000 298 333
24 46 898.30 247.31 3.4593 -0.9057 a a
24 47 477.03 -35.66 -0.0367 0.1746 298 394
24 48 153.81 -117.42 1.8927 -1.0206 278 298
24 50 94.29 -60.39 0.1370 -0.2391 298 343
24 51 17.94 -8.86 0.3421 -0.3432 283 373
25 26 217.18 144.60 1.8252 -3.1249 298 398
25 27 -154.27 1981.00 0.5878 38.1846 353 476
25 33 94.35 223.63 0.0000 0.0000 348 373
25 35 -315.80 388.38 0.0000 0.0000 405 445
25 36 -158.37 407.42 0.0000 0.0000 350 385
25 37 -416.67 4549.42 0.0000 0.0000 364 402
25 39 103.62 97.41 -0.2270 -0.7930 298 419
25 41 -71.18 956.10 0.0000 0.0000 a a
25 44 -209.70 161.50 0.0000 0.0000 a a
25 47 434.10 7.08 0.0000 0.0000 a a
25 51 215.29 59.90 -2.5787 -0.5600 293 404
26 27 -112.03 193.54 0.0000 0.0000 377 459
26 28 320.20 277.80 0.0000 0.0000 a a
26 31 139.80 481.30 0.0000 0.0000 a a
26 32 304.30 64.28 0.0000 0.0000 a a
26 33 -19.89 180.91 0.0000 0.0000 348 393
26 34 -19.47 190.95 -0.5317 1.9214 a a
26 37 39.56 477.33 0.0000 0.0000 290 369
26 39 -208.86 208.85 0.0000 0.0000 a a
26 41 248.40 -124.70 0.0000 0.0000 a a
26 45 -218.90 844.00 0.0000 0.0000 a a
26 50 -4.57 176.30 0.0000 0.0000 a a
26 51 91.96 588.27 -1.1948 -0.2390 293 352
27 32 2990.00 2448.00 0.0000 0.0000 a a
27 33 -124.00 4288.00 0.0000 0.0000 a a
27 35 156.05 21.52 0.0000 0.0000 298 479
27 36 689.66 -236.91 0.0000 0.0000 350 423
27 39 259.17 -94.19 0.0000 0.0000 298 476
27 51 47.52 874.97 0.3968 -7.1736 293 353
28 32 146.46 56.18 -0.3502 -0.3409 283 319
28 37 -51.08 165.46 -1.0025 1.8485 298 318
28 40 387.67 464.74 0.0000 0.0000 273 298
28 41 469.80 885.50 0.0000 0.0000 a a
28 45 164.27 140.14 -1.0016 -0.0301 273 348
28 51 -15.96 97.63 0.0475 -0.1617 288 308
29 35 136.43 -28.91 0.0000 0.0000 313 313
29 39 16.01 17.46 0.0000 0.0000 293 323
29 44 4637.61 -280.79 0.0000 0.0000 303 323
29 48 82.45 -46.30 4.1157 -2.8393 a a
29 51 4989.44 -150.48 -1.0590 0.9421 313 343
30 37 -124.79 501.18 -0.5403 1.3924 360 432
30 41 43.37 -64.28 0.0000 0.0000 a a
30 51 69.25 239.67 -1.3477 1.7990 293 421
31 35 -232.60 106.64 0.0000 0.0000 308 373
31 39 196.37 -130.94 0.0000 0.0000 373 373
31 41 347.80 -264.30 0.0000 0.0000 a a
31 44 -262.00 262.00 0.0000 0.0000 a a
31 47 -412.63 668.78 1.3585 -0.7501 335 459
32 33 17.76 -18.97 1.7831 0.2776 290 303
32 41 68.55 288.10 0.0000 0.0000 a a
32 51 741.37 137.89 0.0000 0.0000 298 298
33 35 -294.62 451.20 -0.1511 -3.7417 298 308
33 38 246.83 598.56 0.0000 0.0000 359 403
33 41 -195.10 627.70 0.0000 0.0000 a a
33 51 46.31 312.08 -1.0508 0.8300 288 353
34 37 2073.00 631.50 0.0000 0.0000 a a
34 39 -51.43 75.48 0.0000 0.0000 283 343
35 37 -128.42 -74.16 0.0000 0.0000 298 446
35 39 -61.02 95.94 -0.3200 0.3343 298 373
35 41 153.70 -29.34 0.0000 0.0000 a a
35 46 142.07 -120.13 -0.9287 0.7162 a a
36 37 108.84 -270.85 0.0000 0.0000 288 345
36 39 -157.79 124.21 1.4262 -1.5022 351 418
36 41 423.40 -53.91 0.0000 0.0000 a a
36 51 -23.74 405.42 -0.5156 0.0602 304 323
37 39 285.46 -131.89 0.0000 0.0000 360 416
 37 40 2160.21 -146.10 0.0000 0.0000 303 323
37 41 730.80 -198.00 0.0000 0.0000 a a
37 44 26.35 -66.31 0.0000 0.0000 a a
37 48 2429.00 148.90 0.0000 0.0000 a a
37 51 -19.99 67.44 1.6875 -1.3780 283 360
38 39 -43.26 118.84 0.0000 0.0000 361 417
38 40 -117.20 185.60 0.0000 0.0000 a a
38 44 -275.09 1311.36 0.0000 0.0000 361 425
38 51 91.65 107.86 0.7311 -0.3332 283 348
39 40 -5.58 55.80 0.0000 0.0000 a a
39 41 72.31 -28.65 0.0000 0.0000 a a
39 45 -208.81 68.61 -3.7137 5.2735 283 363
39 50 -270.35 528.93 0.0000 0.0000 359 407
39 51 6.91 338.88 -0.4794 -0.1035 283 424
40 45 111.80 -32.17 0.0000 0.0000 a a
41 47 122.40 101.20 0.0000 0.0000 a a
42 43 3497.16 2241.09 0.0000 0.0000 291 444
43 51 221.55 166.32 0.0000 0.0000 291 308
44 51 116.63 99.72 0.5794 -0.7782 281 418
45 51 85.25 -22.18 0.0000 0.0000 298 363
47 51 93.98 462.95 -0.6159 0.4996 293 473
48 51 -116.96 382.09 -0.2970 -0.0952 298 353
49 51 -62.13 251.39 0.8052 -1.2893 363 393
50 51 -6.81 111.20 -0.2179 -0.1171 298 348
51 52 195.47 -90.13 0.5849 -0.5909 293 439
a
Tmin and Tmax are not provided because these parameters were not updated in the present
evaluation. The parameters are those listed in references [27] and are included here for
completeness.