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1-Tetradecanol

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-113.5 ± 0.62kcal/molCcrSteele, Chirico, et al., 1991«DELTA»Hfusion = 48.5±1.0 kcal/mol; ALS
Deltafgas-113.8kcal/molN/AMosselman and Dekker, 1975Value computed using «DELTA»fHsolid° value of -629.6±0.6 kj/mol from Mosselman and Dekker, 1975 and «DELTA»subH° value of 153.4 kj/mol from Steele, Chirico, et al., 1991.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-150.14 ± 0.35kcal/molCcrSteele, Chirico, et al., 1991«DELTA»Hfusion = 48.5±1.0 kcal/mol; ALS
Deltafsolid-150.5 ± 0.1kcal/molCcbMosselman and Dekker, 1975Hfusion =48.22±0.42; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2191.30 ± 0.28kcal/molCcrSteele, Chirico, et al., 1991«DELTA»Hfusion = 48.5±1.0 kcal/mol; Corresponding «DELTA»fsolid = -150.14 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2202. ± 2.kcal/molCcbFreeman and Bagby, 1989Corresponding «DELTA»fsolid = -139. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2191.0 ± 0.1kcal/molCcbMosselman and Dekker, 1975Hfusion =48.22±0.42; Corresponding «DELTA»fsolid = -150.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
123.3313.15Khasanshin and Zykova, 1989T = 313 to 563 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
101.9298.15N/AT = 274 to 564 K. C/R(c) = 0.360T - 56.06 (269 to 311 K); C/R(liq) = 0.159T + 13.618 (311 to 379 K), R = 8.31451 J/mol*K.; DH
92.7298.15Mosselman, Mourik, et al., 1974«alpha»-form, 386 to 303 K.; DH
121.312.Mosselman, Mourik, et al., 1974T = 312 to 346 K.; 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
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

Quantity Value Units Method Reference Comment
Tboil562.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus311. ± 1.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple311.35KN/ASpizzichino, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap24.43kcal/molN/AMajer and Svoboda, 1985 
Deltavap23.6 ± 0.60kcal/molCGCNichols, Kweskin, et al., 2006AC
Deltavap23.6kcal/molGSKulikov, Verevkin, et al., 2001Based on data from 312. - 346. K.; AC
Deltavap24.43 ± 0.55kcal/molCMånsson, Sellers, et al., 1977AC
Quantity Value Units Method Reference Comment
Deltasub36.66 ± 0.45kcal/molVSteele, Chirico, et al., 1991«DELTA»Hfusion = 48.5±1.0 kcal/mol; ALS
Deltasub36.66kcal/molN/ASteele, Chirico, et al., 1991DRB
Deltasub24.43 ± 0.55kcal/molCMansson, Sellers, et al., 1977ALS
Deltasub34.4 ± 0.5kcal/molVDavies and Kybett, 1965ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
22.4328.GSKulikov, Verevkin, et al., 2001Based on data from 312. - 346. K.; AC
19.6386.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 333. - 438. K.; AC
26.1332.AStephenson and Malanowski, 1987Based on data from 317. - 358. K.; AC
18.3439.AStephenson and Malanowski, 1987Based on data from 424. - 569. K. See also Kemme and Kreps, 1969.; AC
25.43328.N/AWilhoit and Zwolinski, 1973Based on data from 313. - 358. K.; AC
24.90320.MEDavies and Kybett, 1965Based on data from 313. - 326. K.; AC

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
424.8 - 569.13.603261412.907-177.782Kemme and Kreps, 1969

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
34.39300.MEDavies and Kybett, 1965Based on data from 293. - 307. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
11.807311.N/AN/ADH
11.30308.1DSCZeng, Cao, et al., 2009AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
36.099311.2Mosselman and Mouric, 1974CAL
19.30310.8
1.40306.
18.30311.
16.90311.6
37.942311.

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.4302306.crystaline, «beta»crystaline, Mosselman, Mourik, et al., 1974DH
5.6883311.2crystaline, «beta»crystaline, «alpha»Mosselman, Mourik, et al., 1974DH
11.833311.0crystaline, «beta»liquidMosselman, Mourik, et al., 1974DH
5.9990310.8crystaline, «alpha»liquidMosselman, Mourik, et al., 1974DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.4306.crystaline, «beta»crystaline, Mosselman, Mourik, et al., 1974DH
18.3311.2crystaline, «beta»crystaline, «alpha»Mosselman, Mourik, et al., 1974DH
38.05311.0crystaline, «beta»liquidMosselman, Mourik, et al., 1974DH

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: 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.
NIST MS number 22632

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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.

Steele, Chirico, et al., 1991
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K., DIPPR PROJECT 871: Determination of ideal-gas enthalpies of formation for key compounds: The 1989 project results, J. Chem. Thermodyn., 1991, 101-134. [all data]

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O., Heats of combustion of fatty esters and triglycerides, J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]

Khasanshin and Zykova, 1989
Khasanshin, T.S.; Zykova, T.B., Specific heat of saturated monatomic alcohols, Inzh. -Fiz. Zhur., 1989, 56(6), 991-994. [all data]

Mosselman, Mourik, et al., 1974
Mosselman, C.; Mourik, J.; Dekker, H., Enthalpies of phase change and heat capacities of some long-chain alcohols. Adiabatic semi-microcalorimeter for studies of polymorphism, J. Chem. Thermodynam., 1974, 6, 477-487. [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]

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]

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]

Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James, Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography, J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857 . [all data]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Enthalpies of vaporization of a series of aliphatic alcohols, Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1 . [all data]

Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6 . [all data]

Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, J. Chem. Thermodyn., 1977, 9, 91. [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]

N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J., Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa, Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B . [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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [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]

Mosselman and Mouric, 1974
Mosselman, C.; Mouric, J., Enthalpies of phase change and heat capacities of some long-chain alcohols. Adiabatic semi-microcalorimeter for studies of polymorphism, J. Chem. Thermodyn., 1974, 6, 5, 477, https://doi.org/10.1016/0021-9614(74)90009-3 . [all data]


Notes

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