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2-Butanone
Formula: C4 H8 O Molecular weight: 72.1057 IUPAC Standard InChI:
ICI1/48/13425hH,-H nh=SCHOc--()/32123

Download the identifier in a file. IUPAC Standard InChIKey: Z E N R P V G - H F A Y A N WHKNOVHUFFOSCAS Registry Number: 78-93-3 Chemical structure:

This structure is also available as a 2d Mol file or as a computed 3d Mol file. Other names: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK) Permanent link for this species. Use this link for bookmarking this species for future reference. Information on this page: Phase change data References Notes / Error Report Other data available: Gas phase thermochemistry data Condensed phase thermochemistry data Reaction thermochemistry data Henry's Law data Gas phase ion energetics data Ion clustering data IR Spectrum Mass spectrum (electron ionization) Vibrational and/or electronic energy levels Gas Chromatography Data at other public NIST sites: Computational Chemistry Comparison and Benchmark Database Gas Phase Kinetics Database Options: Switch to calorie-based units
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Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data) NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data) NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, References, Notes / Error Report Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved. Data compiled as indicated in comments: TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director BS - R.L. Brown and S.E. Stein ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein DH - E.S. Domalski and E.D. Hearing CAL - J.S. Chickos, W.E. Acree, Jr., J.F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Tboil Quantity Tfus Quantity Ttriple Ttriple Ttriple Ttriple Ttriple Quantity Tc

Value 353. 1. Value 186.5 0.5 Value 186.5 186.47 186.4 186.48 186.1 Value 535. 2.

Units Method K

Reference

Comment Average of 89 out of 90 values; Individual data points Comment Average of 7 values; Individual data points Comment Uncertainty assigned by TRC = 0.01 K; TRC

AVG N/A Reference Reference Wilhoit, Chao, et al., 1985

Units Method K Units Method K K K K K N/A N/A N/A N/A N/A

AVG N/A

Andon, Counsell, et al., Uncertainty assigned by TRC = 0.04 K; TRC 1968 Sinke and Oetting, 1964 Sinke and Oetting, 1964 Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC

Parks, Kennedy, et al., Uncertainty assigned by TRC = 0.1 K; TRC 1956 Reference Comment Average of 9 values; Individual data points
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Units Method K

AVG N/A

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Quantity Pc Quantity c c Quantity vap H vap H

Value 42. 2. Value 3.74 3.49 Value

Units Method Units Method mol/l mol/l N/A N/A

Reference Reference

Comment Average of 8 values; Individual data points Comment

bar AVG N/A

Kobe, Uncertainty assigned by TRC = 0.21 mol/l; Crawford, et al., TRC 1955 Rosenbaum, 1951 Reference Majer and Svoboda, 1985 Uchytilova, Majer, et al., 1983 ALS Uncertainty assigned by TRC = 0.06 mol/l; TRC Comment

Units Method N/A V

34.92 kJ/mol 34.73 kJ/mol

vap H vap H

35.51 0.08 kJ/mol 32.0 0.01 kJ/mol

C V

Sunner, Svensson, et al., ALS 1979 Mathews, 1926 ALS

Enthalpy of vaporization
vapH (kJ/mol) Temperature (K) 31.3 Reference Comment

352.8 Majer and Svoboda, 1985

Enthalpy of vaporization
vap H = A exp(-Tr) (1 Tr) vap H = Enthalpy of vaporization (at saturation pressure) (kJ/mol) Tr = reduced temperature (T / Tc) View plot Requires a Java capable browser. Temperature (K) A (kJ/mol) 298. - 371. Tc (K) Reference Comment

51.87 0.2925 536.8 Majer and Svoboda, 1985

Antoine Equation Parameters

log10 (P) = A (B / (T + C)) P = vapor pressure (bar) T = temperature (K)
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View plot Requires a Java capable browser. Temperature (K) A B C Reference Comment

314.6 - 370.6 3.9894 1150.207 -63.904

Nickerson, Kobe, et Coefficents calculated by NIST from al., 1961 author's data.

Enthalpy of fusion
fus H (kJ/mol) Temperature (K) 8.385 8.4387 8.44 8.485 Reference Comment DH CAL

186.47 Andon, Counsell, et al., 1968, 2 DH 186.48 Sinke and Oetting, 1964, 2 186.5 Acree, 1991

186.1 Parks, Kennedy, et al., 1956, 2 DH

Entropy of fusion
fus S (J/mol*K) Temperature (K) 44.98 45.25 45.59 Reference Comment DH

186.47 Andon, Counsell, et al., 1968, 2 DH 186.48 Sinke and Oetting, 1964, 2 186.1 Parks, Kennedy, et al., 1956, 2 DH In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products: SRD 103a Thermo Data Engine (TDE) for pure compounds. SRD 103b Thermo Data Engine (TDE) for pure compounds, binary mixtures and chemical reactions SRSD 2 Web Thermo Tables (WTT), "lite" edition SRSD 3 Web Thermo Tables (WTT), professional edition SRD 147 Ionic Liquids Database SRD 156 Clathrate Hydrate Physical Property Database

References
Go To: Top, Phase change data, Notes / Error Report Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Wilhoit, Chao, et al., 1985 Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data] Andon, Counsell, et al., 1968 Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low- temperature heat capacity and entropy of C4 and C5 ketones., J. Chem. Soc. A, 1968, 1968, 1894-7. [all data] Sinke and Oetting, 1964 Sinke, G.C.; Oetting, F.L., The Chemical Thermodynamic Properties of Methyl Ethyl Ketone, J. Phys. Chem., 1964, 68, 1354-8. [all data] Parks, Kennedy, et al., 1956 Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal Data on Organic Compounds XXVI. Some Heat Capacity, Entropy and Free Energy Data for Seven Compounds Containing Oxygen, J. Am. Chem. Soc., 1956, 78, 56-9. [all data] Kobe, Crawford, et al., 1955 Kobe, K.A.; Crawford, H.R.; Stephenson, R.W., Critical Properties and Vapor Pressures of Some Ketones, Ind. Eng. Chem., 1955, 47, 1767-72. [all data] Rosenbaum, 1951 Rosenbaum, M., , M.S. Thesis, Univ. Tex., Austin, TX, 1951. [all data] Majer and Svoboda, 1985 Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data] Uchytilova, Majer, et al., 1983 Uchytilova, V.; Majer, V.; Svoboda, V.; Hynek, V., Enthalpies of vaporization and cohesive enrgies for seven aliphatic ketones, J. Chem. Thermodyn., 1983, 15, 853-858. [all data] Sunner, Svensson, et al., 1979 Sunner, S.; Svensson, Ch.; Zelepuga, A.S., Enthalpies of vaporization at 298.15 K for some 2alkanones and methyl alkanoates, J. Chem. Thermodyn., 1979, 11, 491-495. [all data] Mathews, 1926 Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [all data] Nickerson, Kobe, et al., 1961 Nickerson, J.K.; Kobe, K.A.; McKetta, J.J., The Thermodynamic Properties of the Methyl Ketone Series, J. Phys. Chem., 1961, 65, 1037-1043. [all data] Andon, Counsell, et al., 1968, 2 Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds.
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Part XX. The low-temperature heat capacity and entropy of C4 and C5 ketones, J. Chem. Soc. A, 1968, 1894-1897. [all data] Sinke and Oetting, 1964, 2 Sinke, G.C.; Oetting, F.L., The chemical thermodynamic properties of methyl ethyl ketone, J. Phys. Chem., 1964, 68, 1354-1358. [all data] Acree, 1991 Acree, W.E., Jr., Thermochim. Acta, 1991, 37. [all data] Parks, Kennedy, et al., 1956, 2 Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [all data]

Notes / Error Report

Go To: Top, Phase change data, References

Symbols used in this document: Pc Tboil Tc Tfus Ttriple fusH fusS vap H vap H c Critical pressure Boiling point Critical temperature Fusion (melting) point Triple point temperature Enthalpy of fusion Entropy of fusion Enthalpy of vaporization Enthalpy of vaporization at standard conditions Critical density

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