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n-Hexadecanoic acid

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil612.15KN/AKrafft, 1880Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Tfus335. ± 1.KAVGN/AAverage of 21 out of 22 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple335.66KN/ASchaake, van Miltenburg, et al., 1982Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple335.05KN/ASpizzichino, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ptriple8.15787×10-8atmN/ASpizzichino, 1956Uncertainty assigned by TRC = 3.9474×10-8 atm; TRC
Quantity Value Units Method Reference Comment
Tc785.22KN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Pc14.4921atmN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.84 atm; Ambrose's procedure; TRC
Quantity Value Units Method Reference Comment
Deltasub46.3 ± 2.6kcal/molTPDCappa, Lovejoy, et al., 2008AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
544.70.132Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
23.3455.AStephenson and Malanowski, 1987Based on data from 440. - 625. K.; AC
26.34 ± 0.48364.ME,TEde Kruif, Schaake, et al., 1982Based on data from 347. - 374. K.; AC
21.5475.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
426.8 - 626.95.351573061.422-55.077Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
32.0273. - 303.TPTDChattopadhyay and Ziemann, 2005AC
36.8294. - 316.TPTDChattopadhyay, Tobias, et al., 2001Experimental values based on the TPTD method are often inconsistent with values determined using other experimental methods; AC
36.9 ± 1.0326.MEDavies and Malpass, 1961Based on data from 320. - 333. K. See also Cox and Pilcher, 1970 and Stephenson and Malanowski, 1987.; AC
36.9 ± 1.0319.64VDavies and Malpass, 1961, 2ALS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
12.9335.4DSCGbabode, Negrier, et al., 2009AC
12.28332.7DSCZeng, Cao, et al., 2009AC
11.2336.5DSCMisra, Misra, et al., 2007AC
12.7334.7DSCMoreno, Cordobilla, et al., 2007AC
13.10335.7N/ADomalski and Hearing, 1996AC
13.130336.N/APacor, 1967DH
13.120335.73N/AWard and Singleton, 1952DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
39.08336.Pacor, 1967DH
39.08335.73Ward and Singleton, 1952DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
12.837335.66crystaline, IliquidSchaake, van Miltenburg, et al., 1982, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
38.246335.66crystaline, IliquidSchaake, van Miltenburg, et al., 1982, 2DH

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:


References

Go To: Top, Phase change data, Notes

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

Krafft, 1880
Krafft, F., The production of laurinaldehyde c(12)h(24)o, myristinaldehyde c(14)h(28)o, palmitinaldehyde c(16)h(32)o, stearinaldehyde c(18)h(36)o: I investigation of aldehydes, Ber. Dtsch. Chem. Ges., 1880, 13, 1413-8. [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. 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]

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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 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]

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

Chattopadhyay and Ziemann, 2005
Chattopadhyay, Sulekha; Ziemann, Paul J., Vapor Pressures of Substituted and Unsubstituted Monocarboxylic and Dicarboxylic Acids Measured Using an Improved Thermal Desorption Particle Beam Mass Spectrometry Method, Aerosol Science and Technology, 2005, 39, 11, 1085-1100, https://doi.org/10.1080/02786820500421547 . [all data]

Chattopadhyay, Tobias, et al., 2001
Chattopadhyay, Sulekha; Tobias, Herbert J.; Ziemann, Paul J., A Method for Measuring Vapor Pressures of Low-Volatility Organic Aerosol Compounds Using a Thermal Desorption Particle Beam Mass Spectrometer, Anal. Chem., 2001, 73, 16, 3797-3803, https://doi.org/10.1021/ac010304j . [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]

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

Gbabode, Negrier, et al., 2009
Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Moreno, Evelyn; Calvet, Teresa; Cuevas-Diarte, Miquel Àngel, Fatty acids polymorphism and solid-state miscibility, Journal of Alloys and Compounds, 2009, 469, 1-2, 539-551, https://doi.org/10.1016/j.jallcom.2008.02.047 . [all data]

Zeng, Cao, et al., 2009
Zeng, J.L.; Cao, Z.; Yang, D.W.; Xu, F.; Sun, L.X.; Zhang, L.; Zhang, X.F., Phase diagram of palmitic acid-tetradecanol mixtures obtained by DSC experiments, J Therm Anal Calorim, 2009, 95, 2, 501-505, https://doi.org/10.1007/s10973-008-9274-x . [all data]

Misra, Misra, et al., 2007
Misra, A.K.; Misra, M.; Panpalia, G.M.; Dorle, A.K., Thermoanalytical and Microscopic Investigation of Interaction between Paracetamol and Fatty Acid Crystals, Journal of Macromolecular Science, Part A, 2007, 44, 7, 685-690, https://doi.org/10.1080/10601320701351177 . [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]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [all data]

Ward and Singleton, 1952
Ward, T.L.; Singleton, W.S., Physical properties of fatty acids. II. Some dilatometric and thermal properties of palmitic acid, J. Phys. Chem., 1952, 56, 696-698. [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. Thermodynam., 1982, 14, 771-778. [all data]


Notes

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