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Octanoic acid

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Gas phase 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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-554.5 ± 1.3kJ/molCcbAdriaanse, Dekker, et al., 1965Value computed using «DELTA»fHliquid° from Adriaanse, Dekker, et al., 1965 and «DELTA»vapH° value of 80.3 kJ/mol from Baccanari, Novinski, et al., 1968. estimated uncertainty
Deltafgas-556.6kJ/molN/ALebedeva, 1964Value computed using «DELTA»fHliquid° value of -636.89±0.54 kj/mol from Lebedeva, 1964 and «DELTA»vapH° value of 80.3 kj/mol from missing citation.
Deltafgas-554.0 ± 1.1kJ/molN/ALebedeva, 1964Value computed using «DELTA»fHliquid° value of -636.89±0.54 kj/mol from Lebedeva, 1964 and «DELTA»vapH° value of 82.9±1 kj/mol from missing citation.
Deltafgas-556.6 ± 1.1kJ/molCcbLebedeva, 1964Value computed using «DELTA»fHliquid° from Lebedeva, 1964 and «DELTA»vapH° value of 80.3 kJ/mol from Baccanari, Novinski, et al., 1968. estimated uncertainty

Condensed phase thermochemistry data

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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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-634.8 ± 0.8kJ/molCcbAdriaanse, Dekker, et al., 1965estimated uncertainty; DRB
Deltafliquid-636.89 ± 0.54kJ/molCcbLebedeva, 1964ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4799.9 ± 0.8kJ/molCcbAdriaanse, Dekker, et al., 1965Corresponding «DELTA»fliquid = -634.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4797.92 ± 0.54kJ/molCcbLebedeva, 1964Corresponding «DELTA»fliquid = -636.80 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
297.92298.15Schaake, van Miltenburg, et al., 1982T = 80 to 300 K.; DH
304.6305.Garner and Randall, 1924T = 0 to 46 C. Mean value 18 to 46 C.; DH

Phase change data

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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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil510. ± 4.KAVGN/AAverage of 22 out of 24 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus289.3 ± 0.7KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple289.66KN/ASchaake, van Miltenburg, et al., 1982, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc693.0KN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 1. K; TRC
Tc694.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 1.5 K; TRC
Tc697.2KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc28.69barN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.60 bar; TRC
Pc27.00barN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 2.50 bar; TRC
Pc25.6544barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltavap81.0 ± 0.6kJ/molGSVerevkin, 2000Based on data from 297. - 434. K.; AC
Deltavap81.2kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 353. - 393. K.; AC
Deltavap82.9 ± 1.0kJ/molVKruif and Oonk, 1979ALS
Deltavap82.9 ± 1.0kJ/molTEKruif and Oonk, 1979Based on data from 291. - 303. K.; AC
Deltavap80.3kJ/molVBaccanari, Novinski, et al., 1968ALS
Quantity Value Units Method Reference Comment
Deltasub113. ± 6.kJ/molTPDCappa, Lovejoy, et al., 2008AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
79.8 ± 0.6320.GSVerevkin, 2000Based on data from 297. - 343. K.; AC
66.6432.A,EBAmbrose and Ghiassee, 1987, 2Based on data from 417. - 514. K.; AC
85.3311.AStephenson and Malanowski, 1987Based on data from 296. - 331. K.; AC
74.4375.AStephenson and Malanowski, 1987Based on data from 360. - 512. K.; AC
80.0290.N/Ade Kruif, Schaake, et al., 1982AC
70.0407.ICramer, 1943AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
403.3 - 479.54.252351530.446-150.12Rose, Acciarri, et al., 1957Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
21.380289.5Garner and Randall, 1924DH
21.38289.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
73.9289.5Garner and Randall, 1924DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
21.350289.66crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
73.71289.66crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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

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Mass spectrum
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Additional Data

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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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291498

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J., Heats of combustion of normal saturated fatty acids and their methyl esters, Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [all data]

Baccanari, Novinski, et al., 1968
Baccanari, D.P.; Novinski, J.A.; Pan, Y.; Yevitz, M.M.; Swain, H.A., Jr., Heats of sublimation and vaporization at 25° of long chain fatty acids and methyl esters, Trans. Faraday Soc., 1968, 64, 1201. [all data]

Lebedeva, 1964
Lebedeva, N.D., Heats of combustion of monocarboxylic acids, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]

Schaake, van Miltenburg, et al., 1982
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of the normal alkanoic acids. II. Molar heat capacities of seven even-numbered normal alkanoic acids, J. Chem. Thermodynam., 1982, 14, 771-778. [all data]

Garner and Randall, 1924
Garner, W.E.; Randall, F.C., Alternation in the heats of crystallization of the normal monobasic fatty acids. Part I., J. Chem. Soc., 1924, 125, 881-896. [all data]

Schaake, van Miltenburg, et al., 1982, 2
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of the normal alkanoic acids. II. Molar heat capacities of seven even-numbered normal alkanoic acids., J. Chem. Thermodyn., 1982, 14, 771-8. [all data]

Andereya and Chase, 1990
Andereya, E.; Chase, J.D., Chem. Eng. Technol., 1990, 13, 304-12. [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]

D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S., The prediction of the vapor pressures of carboxylic acids, Chem. Eng. Commun., 1987, 61, 13. [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]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [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]

Cappa, Lovejoy, et al., 2008
Cappa, Christopher D.; Lovejoy, Edward R.; Ravishankara, A.R., Evaporation Rates and Vapor Pressures of the Even-Numbered C 8 -C 18 Monocarboxylic Acids, J. Phys. Chem. A, 2008, 112, 17, 3959-3964, https://doi.org/10.1021/jp710586m . [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]

de Kruif, Schaake, et al., 1982
de Kruif, C.G.; Schaake, R.C.F.; van Miltenburg, J.C.; van der Klauw, K.; Blok, J.G., Thermodynamic properties of the normal alkanoic acids III. Enthalpies of vaporization and vapour pressures of 13 normal alkanoic acids, The Journal of Chemical Thermodynamics, 1982, 14, 8, 791-798, https://doi.org/10.1016/0021-9614(82)90176-8 . [all data]

Cramer, 1943
Cramer, K.S.N., Chem. Zentr. II, 1943, 2234. [all data]

Rose, Acciarri, et al., 1957
Rose, Arthur.; Acciarri, Jerry A.; Johnson, R. Curtis.; Sanders, W.W., Automatic Computation of Antoine Equation 31 Constants---Caproic and Caprylic Acids and Methyl Esters, Ind. Eng. Chem., 1957, 49, 1, 104-109, https://doi.org/10.1021/ie50565a036 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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