Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Propanoic acid, 2-methyl-

Data at NIST subscription sites:

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.


Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
181.7298.15Biros, Sikora, et al., 1982T = 270 to 370 K. Equation only. Cp = 130.1 - 0.08156 T + 0.0008541 T2 J/mol*K.
173.298.15Konicek and Wadso, 1971 
171.1298.von Reis, 1881T = 291 to 448 K.

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil427. ± 2.KAVGN/AAverage of 40 out of 42 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus227. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc605.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 1.5 K; TRC
Tc609.40KN/ABrown, 1906Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Pc37.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 0.25 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap56.3kJ/molCGCVerevkin, 2000Based on data from 303. - 378. K.; AC
Deltavap55.5 ± 0.3kJ/molGSVerevkin, 2000Based on data from 278. - 308. K.; AC
Deltavap53.kJ/molN/AMajer and Svoboda, 1985 
Deltavap53.4 ± 3.0kJ/molVKruif and Oonk, 1979ALS
Deltavap53. ± 4.kJ/molCKonicek, Wadsö, et al., 1970AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
50.5390.N/AClifford, Ramjugernath, et al., 2004Based on data from 375. - 426. K.; AC
55.8 ± 0.3293.GSVerevkin, 2000Based on data from 278. - 308. K.; AC
51.6359.EBAmbrose and Ghiassee, 1987, 2Based on data from 344. - 445. K.; AC
50.9303.AStephenson and Malanowski, 1987Based on data from 288. - 428. K.; AC
45.4443.AStephenson and Malanowski, 1987Based on data from 428. - 562. K.; AC
53. ± 3.398.TEKruif and Oonk, 1979Based on data from 228. - 243. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
330.7 - 425.2.23908459.215-220.378Kahlbaum, 1883Coefficents calculated by NIST from author's data.

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:


Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Iodide + Propanoic acid, 2-methyl- = (Iodide bullet Propanoic acid, 2-methyl-)

By formula: I- + C4H8O2 = (I- bullet C4H8O2)

Quantity Value Units Method Reference Comment
Deltar69.9 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar85.8J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar44.4 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

iPrCO2 anion + Propanoic acid, 2-methyl- = (iPrCO2 anion bullet Propanoic acid, 2-methyl-)

By formula: C4H7O2- + C4H8O2 = (C4H7O2- bullet C4H8O2)

Quantity Value Units Method Reference Comment
Deltar125. ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar140.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar83.3 ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

iPrCO2 anion + Hydrogen cation = Propanoic acid, 2-methyl-

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Deltar1448. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar1418. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B

Hydrogen + 2-Propenoic acid, 2-methyl- = Propanoic acid, 2-methyl-

By formula: H2 + C4H6O2 = C4H8O2

Quantity Value Units Method Reference Comment
Deltar-118. ± 1.kJ/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid; ALS

Water + Propanoic acid, 2-methyl-, anhydride = 2Propanoic acid, 2-methyl-

By formula: H2O + C8H14O3 = 2C4H8O2

Quantity Value Units Method Reference Comment
Deltar-61.04kJ/molCmConn, Kistiakowsky, et al., 1942liquid phase; Heat of hydrolysis at 303 K; ALS

Methyl isobutyrate + Water = Methyl Alcohol + Propanoic acid, 2-methyl-

By formula: C5H10O2 + H2O = CH4O + C4H8O2

Quantity Value Units Method Reference Comment
Deltar-61.6 ± 1.0kJ/molEqkGuthrie and Cullimore, 1980liquid phase; ALS

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-2559
NIST MS number 228227

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Biros, Sikora, et al., 1982
Biros, J.; Sikora, A.; Zivny, A.; Pouchly, J., Heat capacity of monomer models of some hydrophilic polymers in aqueous solution from 20° to 60°C, Collect Czech. Chem. Commun., 1982, 47(10), 2692-2701. [all data]

Konicek and Wadso, 1971
Konicek, J.; Wadso, I., Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution, Acta Chem. Scand., 1971, 25, 1541-1551. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B., Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10, J. Chem. Thermodyn., 1987, 19, 505. [all data]

Brown, 1906
Brown, J.C., The critical temperature and value of ml/theta of some carbon compounds, J. Chem. Soc., Trans., 1906, 89, 311. [all data]

Verevkin, 2000
Verevkin, S.P., Measurement and Prediction of the Monocarboxylic Acids Thermochemical Properties, J. Chem. Eng. Data, 2000, 45, 5, 953-960, https://doi.org/10.1021/je990282m . [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]

Kruif and Oonk, 1979
Kruif, C.G.; Oonk, H.A.J., Enthalpies of vaporization and vapour pressures of seven aliphatic carboxylic acids, J. Chem. Thermodyn., 1979, 11, 287-290. [all data]

Konicek, Wadsö, et al., 1970
Konicek, Jiri; Wadsö, Ingemar; Munch-Petersen, J.; Ohlson, Ragnar; Shimizu, Akira, Enthalpies of Vaporization of Organic Compounds. VII. Some Carboxylic Acids., Acta Chem. Scand., 1970, 24, 2612-2616, https://doi.org/10.3891/acta.chem.scand.24-2612 . [all data]

Clifford, Ramjugernath, et al., 2004
Clifford, Scott L.; Ramjugernath, Deresh; Raal, J. David, Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid, J. Chem. Eng. Data, 2004, 49, 5, 1189-1192, https://doi.org/10.1021/je034180e . [all data]

Ambrose and Ghiassee, 1987, 2
Ambrose, D.; Ghiassee, N.B., Vapour pressures and critical temperatures and critical pressures of some alkanoic acids: C1 to C10, The Journal of Chemical Thermodynamics, 1987, 19, 5, 505-519, https://doi.org/10.1016/0021-9614(87)90147-9 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Kahlbaum, 1883
Kahlbaum, Georg W.A., Ueber die Abhängigkeit der Siedetemperatur vom Luftdruck, Ber. Dtsch. Chem. Ges., 1883, 16, 2, 2476-2484, https://doi.org/10.1002/cber.188301602178 . [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Conn, Kistiakowsky, et al., 1942
Conn, J.B.; Kistiakowsky, G.B.; Roberts, R.M.; Smith, E.A., Heats of organic reactions. XIII. Heats of hydrolysis of some acid anhydrides, J. Am. Chem. Soc., 1942, 64, 1747-17. [all data]

Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A., Effect of the acyl substituent on the equilibrium constant for hydration of esters, Can. J. Chem., 1980, 58, 1281-1294. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References