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Undecanoic acid

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Condensed phase thermochemistry data

Go To: Top, 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:
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
Deltacliquid-6736.5 ± 0.9kJ/molCcbAdriaanse, Dekker, et al., 1965Hfusion=25.8 kJ/mol; Corresponding «DELTA»fliquid = -736.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
768.8298.15Schaake, van Miltenburg, et al., 1982T = 80 to 330 K.; DH
415.1293.Garner and Randall, 1924crystaline, I phase; T = 0 to 66°C. Mean value 14 to 21°C.; DH

Phase change data

Go To: Top, Condensed phase 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil438.15KN/AKomori and Agawa, 1954TRC
Tboil553.15KN/ALanglais and Goby, 1924Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus301.65KN/AGaikwad and Subrahmanyam, 1985Uncertainty assigned by TRC = 0.4 K; TRC
Tfus301.9KN/AAdriaanse, Dekker, et al., 1964Uncertainty assigned by TRC = 0.05 K; TRC
Tfus302.KN/ATimmermans, 1935Uncertainty assigned by TRC = 1.5 K; TRC
Tfus301.4KN/AGarner and Randall, 1924, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus301.2KN/AKrafft, 1882Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple301.63KN/ASchaake, van Miltenburg, et al., 1982, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc731.26KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc20.0404barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltasub121. ± 1.kJ/molVBaccanari, Novinski, et al., 1968ALS
Deltasub121.3 ± 1.3kJ/molMEBaccanari, Novinski, et al., 1968Based on data from 303. - 308. K. See also Cox and Pilcher, 1970.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
501.20.213Aldrich Chemical Company Inc., 1990BS
437.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
81.3408.AStephenson and Malanowski, 1987Based on data from 393. - 557. K.; AC
90.7 ± 2.0323.ME,TEde Kruif, Schaake, et al., 1982Based on data from 310. - 332. K.; AC
97.9 ± 6.3305.N/ABaccanari, Novinski, et al., 1968Based on data from 303. - 308. K.; AC

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
374.6 - 563.5.070422640.792-42.034Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
25.98301.6Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
28.03290.Domalski and Hearing, 1996CAL
86.15301.6

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
8.150290.3crystaline, IIcrystaline, ISchaake, van Miltenburg, et al., 1982DH
25.980301.63crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH
7.700290.crystaline, IIcrystaline, IGarner and Randall, 1924DH
25.100301.4crystaline, IliquidGarner and Randall, 1924DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
28.07290.3crystaline, IIcrystaline, ISchaake, van Miltenburg, et al., 1982DH
86.13301.63crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH
26.6290.crystaline, IIcrystaline, IGarner and Randall, 1924DH
83.3301.4crystaline, IliquidGarner and Randall, 1924DH

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, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, 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

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-2666
NIST MS number 229862

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, 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]

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. I. Molar heat capacities of seven odd-numbered normal alkanoic acids, J. Chem. Thermodynam., 1982, 14, 763-769. [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]

Komori and Agawa, 1954
Komori, S.; Agawa, T., Liver Oil of Laemonema Morosum Matsubara II. Studies on Docosenol Fractions, Nippon Kagaku Zasshi, 1954, 75, 1051. [all data]

Langlais and Goby, 1924
Langlais, P.; Goby, C. R. Hebd. Seances Acad. Sci., 1924, 179, 173. [all data]

Gaikwad and Subrahmanyam, 1985
Gaikwad, B.R.; Subrahmanyam, V.V., Melting behavior of fatty alcohols and their binary blends., J. Indian Chem. Soc., 1985, 62, 513. [all data]

Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J., Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters, Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Garner and Randall, 1924, 2
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, 881-96. [all data]

Krafft, 1882
Krafft, F., On Nineteen Higher Normal Paraffins and a Simple Volume Law for Liquids that form Drops I., Ber. Dtsch. Chem. Ges., 1882, 15, 1687-711. [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. I. Molar heat capacities of seven odd-numbered normal alkanoic acids., J. Chem. Thermodyn., 1982, 14, 763. [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]

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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References