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n-Decanoic acid

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Gas 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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-149.2 ± 1.2kcal/molN/AAdriaanse, Dekker, et al., 1965Value computed using «DELTA»fHliquid° value of -713.7±0.9 kj/mol from Adriaanse, Dekker, et al., 1965 and «DELTA»vapH° value of 89.5±5.0 kj/mol from n-alkanoic correlation.

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:
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-1453.0 ± 0.2kcal/molCcbAdriaanse, Dekker, et al., 1965Hfusion=29.4 kJ/mol; Corresponding «DELTA»fliquid = -170.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
113.67298.15Schaake, van Miltenburg, et al., 1982T = 80 to 345 K.; DH
86.30285.Garner and Randall, 1924T = 0 to 65°C. Mean value 0 to 24°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
Tboil530. ± 60.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus304. ± 2.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple304.55KN/ASchaake, van Miltenburg, et al., 1982, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple303.95KN/ASpizzichino, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ptriple9.60524×10-7atmN/ASpizzichino, 1956Uncertainty assigned by TRC = 2.6315×10-7 atm; TRC
Quantity Value Units Method Reference Comment
Tc726.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 4. K; TRC
Tc720.53KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc20.73atmN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 3.95 atm; TRC
Pc21.3347atmN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.89 atm; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltasub31. ± 1.kcal/molTPDCappa, Lovejoy, et al., 2008AC
Deltasub28.4 ± 0.5kcal/molVBaccanari, Novinski, et al., 1968ALS
Deltasub28.39 ± 0.53kcal/molMEBaccanari, Novinski, et al., 1968Based on data from 293. - 303. K. See also Cox and Pilcher, 1970 and Stephenson and Malanowski, 1987.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
422.20.014Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
18.3413.AStephenson and Malanowski, 1987Based on data from 398. - 543. K.; AC
21.2314.ME,TEde Kruif, Schaake, et al., 1982Based on data from 305. - 323. K.; AC
17.1418.ICramer, 1943AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
426.0 - 460.32.4588733.581-256.708Kahlbaum, 1894Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
27.99 ± 0.41295.MEDavies and Malpass, 1961Based on data from 290. - 301. K.; AC
28.0 ± 0.4289.8VDavies and Malpass, 1961, 2ALS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
6.6898304.4N/AGarner and Randall, 1924DH
6.76303.8DSCMoreno, Cordobilla, et al., 2007AC
6.649304.5N/ADomalski and Hearing, 1996AC
6.9830300.1N/AEykman, 1889DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
22.0304.4Garner and Randall, 1924DH
23.3300.1Eykman, 1889DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.6439304.55crystaline, IliquidSchaake, van Miltenburg, et al., 1982DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
21.82304.55crystaline, 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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: John E. Bartmess

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

C10H19O2- + Hydrogen cation = n-Decanoic acid

By formula: C10H19O2- + H+ = C10H20O2

Quantity Value Units Method Reference Comment
Deltar338.8 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; Folded form; dSacid = 7.2 eu
Deltar346.1 ± 2.0kcal/molTDEqNorrman and McMahon, 1999gas phase; Unfolded form
Quantity Value Units Method Reference Comment
Deltar336.7 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; Folded form; dSacid = 7.2 eu
Deltar338.8 ± 2.1kcal/molH-TSNorrman and McMahon, 1999gas phase; Unfolded form

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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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 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 Japan AIST/NIMC Database- Spectrum MS-NW-1820
NIST MS number 228813

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References

Go To: Top, Gas phase thermochemistry data, 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.

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. 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]

Spizzichino, 1956
Spizzichino, C., Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure, J. des Recherches du C.N.R.S., 1956, 34, 1-24. [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]

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]

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]

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]

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]

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]

Kahlbaum, 1894
Kahlbaum, G.W.A., Studien uber Dampfspannkraftsmessungen, Z. Phys. Chem. (Leipzig), 1894, 13, 14-55. [all data]

Davies and Malpass, 1961
Davies, Mansel; Malpass, V.E., 212. Heats of sublimation of straight-chain monocarboxylic acids, J. Chem. Soc., 1961, 1048, https://doi.org/10.1039/jr9610001048 . [all data]

Davies and Malpass, 1961, 2
Davies, M.; Malpass, V.E., Heats of sublimation of straight-chain monocarboxylic acids, J. Chem. Soc., 1961, 1048-10. [all data]

Moreno, Cordobilla, et al., 2007
Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Cuevas-Diarte, M.A.; Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Oonk, Harry A.J., Polymorphism of even saturated carboxylic acids from n-decanoic to n-eicosanoic acid, New J. Chem., 2007, 31, 6, 947, https://doi.org/10.1039/b700551b . [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]

Eykman, 1889
Eykman, J.F., Zur kryoskopischen Molekulargewichtsbestimmung, Z. Physik. Chem., 1889, 4, 497-519. [all data]

Norrman and McMahon, 1999
Norrman, K.; McMahon, T.B., Intramolecular solvation of carboxylate anions in the gas phase, J. Phys. Chem. A, 1999, 103, 35, 7008-7016, https://doi.org/10.1021/jp9908202 . [all data]


Notes

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