Compound Name Propanol Acetic Acid

Estimation
Method Chemical Formula C3H8O C2H4O2
Molecular weight g/mol 60.096 60.05
CAS number 71-23-8 64-19-7
Joback & Reid Boiling point ᴼC 97.1 117.94
ᴼK 370.3 391.1
Joback & Reid Melting point ᴼK 146.85 289.75
Joback & Reid Critical temperature, Tc ᴼK 536.9 594.4
Joback & Reid Critical pressure, Pc bar 51.7 57.9
Kpa 5170 5790
Critical volume, Vc m3/k.mol 0.218 0.171
Joback & Reid m3/mol 0.000218 0.000171
cm³/mole 218 171
Calculated Critical Compresibility Zc = (Pc*Vc)/ Constant 0.252 0.200
(Tc*R)

Molar Volume at T =MW/Density at Temp:TCC/mol or 0.0747 0.0572

ML/mole
Published Pitzer's Acentric Factor published ω 0.618 0.443
Published Liquid density at 25C kg/m3 804 1049

Joback & Reid Standard

at 298K
enthalpy of formation of vapor kJ/mol -256.57 -435.13

Joback & Reid Standard Gibbs energy of formation of

vapor at 298K kJ/mol -161.9 -376.94

Published Heat of vaporization,at 298.15 K, 1 atm. J/mol 47450 51600

Joback & Reid Heat of vaporization,at BP J/mol 41440 42000

Riedel model ΔHνb

Tb/Tc)
=1.093*R*Tb*(lnPc-1.013)/(0.93- J/mol 41045 39791

ΔHνb = R*Tb*(( 3.978*(Tb/Tc)-

Chen model J/mol 39820 39227
3.958+1.555*lnPc))/((1.07-(Tb/Tc))
Average (Above Heat of vaporization,at BP J/mol 40768 40339
three)
Kcal/K.mol 9743.7 9641.1
Kcal/Kg 162.1 160.6
Reduced Temperature θ =Tb/Tc 0.6896 0.6580
Lee-Kesler
Pitzer's Acentric Factor, Calculated ω 0.6259 0.4367
*Enter Temp. T for VP Calculation ᴼC 73.55 83.97
Temp Value for VP required = T ᴼK 346.7 357.1
Measured Reduced Temperature Tr = T/Tc 0.6457 0.6008
f(0) = -4.5498133 -5.91788502
Lee-Kesler, f(1)= -4.8289016 -6.61546464
Estimation of
Vapor Pressure Ln.Pvpr = -4.8897774 -5.291055
 Lee-Kesler,
Estimation of
Vapor Pressure
Pvpr = 0.008 0.005
Vap.Press at Temp. Pv = Pvpr*Pc atm 0.389 0.292
mmHg 295.598 221.624
Estimate Antoine Coeff from three predicted values of V.P. ln(Psat[mmH
Temperature : Tmin ᴼC 50 50
Estimate Antoine Coefficient : Using three values
of VP at three Temp & Data Analysis regression

*Calculated V.P.at Tmin =V.P.1 mmHg 96.12 46.756

Temperature: T(Average) ᴼC 73.55 83.97
Calculated V.P.at T(Average) =V.P.2 mmHg 295.598 221.624
Temperature :Tmax( or Tb) ᴼC 97.1 117.94
Calculated V.P.at Tmax or Tb =V.P.3 mmHg 760.004 760.004
Antoine Coefficients for Vapor Press: Antoine coefficients for:
Convert LN to LOG: divide A & B by A 7.6192 7.2996
2.302585 B 1375.14 1479.02
Convert ᴼK to ᴼC : add 273.15 to C C 193.01 216.81

Estimation of VP using estimated Antoine co

Enter Temperature : T ᴼC 97.2 119
ᴼK 370.4 392.2

Vapor pressure at Temp: T mmHg 759.9 785.8

Propanol Acetic Acid

Estimate relativolatility and Bubble Point quickly

Componanet-1 Acetic Acid
Componanet-2 Propionic Acid
ENTER
Tb1 = normal boiling point of Component 1, K 391.05
Tb2 = normal boiling point of Component 2, K 413.95
L1 = latent heat of vaporization for Component 1 at Temperature Tb1 10060.2
L2 = latent heat of vaporization for Component 2 at Temperature Tb2 10463.1
α = relative volatility between the two components 2.076
in the temperature range between Tb1 to Tb2
On line reported Value for α 2.077
Tb1 = normal boiling point of Component 1, K Acetic Acid 391.05
Tb2 = normal boiling point of Component 2, K Propionic Acid 413.95
λ, Value for Componanet-1 Acetic Acid 40339
λ, Value for Componanet- 2 Propionic Acid 44514
Average Value of λ in J/gm-mole = 42426.5
R= 8.314
X1 = mole composition of comp-1 in feed mixture 0.1
Relative Volatility: α1-2 = exp((λav/R)*(1/Tb1 -1/Tb2)) 2.058
The equilibrium Temp. in ᴼK at X1
T = BP.2/((R/λav)*BP.2*LN((1+ (α1-2 -1)*x1))+1) 410.60
Tsat = Bubble Point at X1 137.45
On line check :
Propionic 1-Hydroxy, Ethoxy Acetic Diethyl Keton Carbon
(3- Water
Acid 2-Pentanone Acid Dioxide
Pentanone)
C3H6O2 C5H10O2 C4H8O3 C5H10O H20 CO2
74.08 102.1317 104.1015 86.134 18.015 44.01
79-09-4 64502-89-2 627-03-2 96-22-0 124-38-9
140.8 186.7 186.24 101.9 100 -78.5
414.0 459.9 459.4 375.1 373.2 194.7
252.4 256.86 267.82 -39 273.2 216.55
607 632.49 633 561 647.3 304.2
45.3 42.00 46.6571 37.4 220.48 73.8
4530 4200.18 4665.71 3740 22048 7380
0.23 0.34 0.3025 0.336 0.056 0.094
0.00023 0.00034 0.0003025 0.000336 0.000056 0.000094
230 340 302.5 336 56 94
0.206 0.272 0.268 0.269 0.229 0.274

0.0794 0.1021 0.0945 0.1064 18.016 18.016

0.537 NA NA 0.34 0.344 0.228

933 1000 1102.1 809.8 998 777

-455.44 -411.34 -522.92 -258.83 -241.8 -393.77

-369.57 -387.94 135.36 -228.6 -394.65

51200 NA NA 39200 40894 17186

46400 50149 50330 33590

42471 56105 57837 34006 42040 20050

41550 52915 54416 33658 42281 19852

43474 53056 54194 33751 42161 19951

10390.2 12680.4 12952.4 8066.6 10076.4 4768.2

140.3 124.2 124.4 93.7 559.3 108.3
0.6820 0.7270 0.7257 0.6685 0.5765 0.6399
0.5140 0.8723 0.9120 0.3504 0.3235 0.4000
95.4 118.35 118.12 75.95 75 -14.25
368.6 391.5 391.3 349.1 348.2 258.9
0.6072 0.6190 0.6181 0.6223 0.5378 0.8511
-5.70237 -5.3223063132 -5.349174279 -5.2206764661 -8.56095 -1.132551
-6.3272 -5.8247833225 -5.860044323 -5.6917698734 -10.3182 -0.990097
-5.43674 -6.439539897 -6.609845193 -4.4899368561 -6.39962 -1.30095
 0.004 0.002 0.001 0.011 0.002 0.272
0.197 0.067 0.063 0.420 0.366 20.094 Carbon Dioxide
149.888 50.983 47.765 318.957 278.526 1.53E+04 A 6.389358
values of V.P. ln(Psat[mmHg])=A-B/(T[oK]+C) B 341.5341
50 50 50 50 50 50 C 175.5627
14.543 0.707 0.596 112.862 84.839 8.99E+04 Tmin = -78.2ᴼC
95.4 118.35 118.12 75.95 75 -14.25 Tmax = +22 ᴼC
149.888 50.983 47.765 318.957 278.526 1.53E+04 Press in mmHg
140.8 186.7 186.24 101.9 100 -78.5 LOG(P)=A-B/(C+TᴼC)
760.004 760.005 760.005 760.004 760.004 7.60E+02
Antoine coefficients for: log(P)[mmHg])=A-B/(T[oC]+C) A simple transformation can be used if the
7.5476 8.0765 8.1958 7.3021 8.027644 6.389 be exchanged by the natural logarithm. It is
1927.56 1706.134 341.534
and B parameters by ln(10)
1617.06 1963.41 1481.17
205.67 184.30 183.17 233 231.4922 175.563
It is however easy to convert the paramete
using estimated Antoine coefficient. temperature units. For switching from deg
142 186.7 186.24 101.9 100 -78.2 sufficient to subtract 273.15 from
415.2 459.9 459.44 375.1 373.2 195

787.8 760.00 760.00 757.58 760.00 761.21

Propionic 1-Hydroxy, 2- Ethoxy Acetic Diethyl Keton Carbon

(3- Water
Acid Pentanone Acid Dioxide
Pentanone)

Componanet-1 Propionic Acid

Componanet-2 Ethoxy Acetic Acid

K Tb1 = normal boiling point of Component 1, K

K Tb2 = normal boiling point of Component 2, K
kcal/kmole L1 = latent heat of vaporization for Component 1 at Temperature Tb1
kcal/Kmole L2 = latent heat of vaporization for Component 2 at Temperature Tb2
α = relative volatility between the two components
in the temperature range between Tb1 to Tb2
On line reported Value for α
K Tb1 = normal boiling point of Component 1, K Propionic Acid
K Tb2 = normal boiling point of Component 2, K Ethoxy Acetic Acid
J/mole λ, Value for Componanet-1 Propionic Acid
J/mole λ, Value for Componanet- 2 Ethoxy Acetic Acid
J/mole Average Value of λ in J/gm-mole =
J/mole R=
X1 = mole composition of comp-1 in feed mixture
Relative Volatility: α1-2 = exp((λav/R)*(1/Tb1 -1/Tb2))
The equilibrium Temp. in ᴼK at X1
ᴼK T = BP.2/((R/λav)*BP.2*LN((1+ (α1-2 -1)*x1))+1)
ᴼC Tsat = Bubble Point at X1
On line check :
 Published Data
Antoine coefficients for: log(P)[mmHg])=A-B/(T[oC]+C)
A B C
C2H4O2 acetic-acid 7.2996 1479.02 216.82
7.27594 1327.163 183.913
7.38782 1533.313 222.309
C3H8O propyl-alc 7.6192 1375.14 193.01
mation can be used if the common logarithm should 7.82517 1482.133 217.413
he natural logarithm. It is sufficient to multiply the A 7.74416 1437.686 198.463
d B parameters by ln(10) = 2.302585.
C3H6O2 propanoic 7.68217 1730.227 219.512
7.71423 1733.418 217.724
to convert the parameters to different pressure and
s. For switching from degrees Celsius to kelvin it is C5H10O diethyl ke 7.26675 1462.187 231.531
to subtract 273.15 from the C parameter. 1- 7.02529 1310.281 214.192
Hydroxy,
C5H10O2 2- 8.0765 1927.56 184.3
Pentanon
Ethoxy
e
C4H8O3 Acetic 8.20 1963.41 183.17
Acid

ENTER
414.0 K
459.4 K
10463.1 kcal/kmole
mperature Tb2 11017 kcal/Kmole
3.640
Propionic Acid 414.0 K
Ethoxy Acetic Acid 459.4 K
44514 J/mole
54194 J/mole
49354 J/mole
8.314 J/mole
0.9
4.132

416.24 ᴼK
143.09 ᴼC
hed Data
og(P)[mmHg])=A-B/(T[oC]+C)
Tmin Tmax
17 157 Yaws&Yang
16.66 318.8 Yaw's-2015
29.8 126.5 W.Sheet
12 127 Yaws&Yang
-0.26 235.16 Yaw's-2015
NA NA W.Sheet
39.42 327.66 Yaw's-2015
W.Sheet
1.79 126.42 Yaw's-2015
W.Sheet
SCR.
Estimated
SCR
Estimated