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1-Dodecanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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-436.5 ± 1.0kJ/molN/AMosselman and Dekker, 1975Value computed using «DELTA»fHliquid° value of -528.5±0.8 kj/mol from Mosselman and Dekker, 1975 and «DELTA»vapH° value of 91.96±0.59 kj/mol from missing citation.
Deltafgas-436.5 ± 1.0kJ/molCcbMosselman and Dekker, 1975Value computed using «DELTA»fHliquid° from Mosselman and Dekker, 1975 and «DELTA»vapH° value of 92. kJ/mol from Mansson, Sellers, et al., 1977.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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
Deltafliquid-528.5 ± 0.8kJ/molCcbMosselman and Dekker, 1975ALS
Quantity Value Units Method Reference Comment
Deltacliquid-7950. ± 10.kJ/molCcbFreeman and Bagby, 1989Corresponding «DELTA»fliquid = -494. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-7909.4 ± 0.8kJ/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -528.5 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
439.4303.15Khasanshin and Zykova, 1989T = 303 to 533 K.; DH
438.42298.15Andreoli-Ball, Patterson, et al., 1988DH
462.316.Svensson, 1979T = 316 to 486 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil534.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus297.0 ± 0.8KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple296.95KN/ASpizzichino, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ptriple9.599×10-7barN/ASpizzichino, 1956Uncertainty assigned by TRC = 2.7×10-7 bar; TRC
Quantity Value Units Method Reference Comment
Tc719.4 ± 1.5KN/AGude and Teja, 1995 
Tc719.4KN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.8 K; TRC
Tc719.4KN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.8 K; TRC
Tc719.4KN/ATeja, Lee, et al., 1989TRC
Quantity Value Units Method Reference Comment
Pc19.9 ± 0.5barN/AGude and Teja, 1995 
Pc19.94barN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.50 bar; TRC
Pc19.94barN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.50 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap92. ± 1.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub129.3kJ/molN/ADavies and Kybett, 1965AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
84.760343.15N/ASvensson, 1979No pressure measurement.; DH
85.8327.GSKulikov, Verevkin, et al., 2001Based on data from 303. - 348. K.; AC
80.5358.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 303. - 413. K.; AC
73.8398.AStephenson and Malanowski, 1987Based on data from 383. - 438. K.; AC
57.1520.AStephenson and Malanowski, 1987Based on data from 505. - 550. K.; AC
66.7440.A,EBStephenson and Malanowski, 1987Based on data from 425. - 550. K.; AC
83.3333.A,MEStephenson and Malanowski, 1987Based on data from 303. - 363. K. See also Geiseler, Quitzsch, et al., 1962.; AC
84.7 ± 0.5343.CSvensson, 1979AC
92.5312.N/AWilhoit and Zwolinski, 1973Based on data from 297. - 363. K.; AC
67.6426.N/AWilhoit and Zwolinski, 1973Based on data from 411. - 487. K.; AC
71.5415.DTAKemme and Kreps, 1969Based on data from 400. - 538. K.; AC
95. ± 2.297.VDavies and Kybett, 1965ALS
95.4305.MEDavies and Kybett, 1965Based on data from 297. - 313. K.; AC
67.6426.N/ARose, Papahronis, et al., 1958Based on data from 411. - 487. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
246.74343.15Svensson, 1979No; DH

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
376.54 - 437.614.846912057.697-105.421Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
425.72 - 549.673.884991499.764-151.106Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
399.7 - 538.63.811521454.635-155.915Kemme and Kreps, 1969 

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
130.1 ± 1.2290.MEDavies and Kybett, 1965Based on data from 285. - 294. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
40.31297.3van Miltenburg, van den Berg, et al., 2003AC
40.17300.2Acree, 1993AC

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, Henry's Law 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

1-Dodecanol + Phthalic anhydride = dodecyl hydrogen phthalate

By formula: C12H26O + C8H4O3 = dodecyl hydrogen phthalate

Quantity Value Units Method Reference Comment
Deltar-37.1kJ/molKinFomin, Legkova, et al., 1981liquid phase; Monoesterification

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
11. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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

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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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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).

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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-1608
NIST MS number 229216

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, Reaction thermochemistry data, Henry's Law 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.

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]

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]

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]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Svensson, 1979
Svensson, Ch., Enthalpies of vaporization of 1-decanol and 1-dodecanol and their influence on the CH2-increment for the enthalpies of formation, J. Chem. Thermodynam., 1979, 11, 593-596. [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]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S., The Critical Pressures and temperatures of Isomeric Alkanols, Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., Critical pressures and temperatures of isomeric alkanols, Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [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]

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]

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]

Geiseler, Quitzsch, et al., 1962
Geiseler, G.; Quitzsch, K.; Hesselbach, J.; Huettig, R., Z. Phys. Chem. (Leipzig), 1962, 200, 79. [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]

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]

Rose, Papahronis, et al., 1958
Rose, Arthur; Papahronis, B.; Williams, E., Experimental Measurement of Vapor-Liquid Equilibria for Octanol-Decanol and Decanol-Dodecanol Binaries., Ind. Eng. Chem. Chem. Eng. Data Series, 1958, 3, 2, 216-219, https://doi.org/10.1021/i460004a008 . [all data]

Ambrose, Ellender, et al., 1974
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXXV. Vapour pressures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1974, 6, 9, 909-914, https://doi.org/10.1016/0021-9614(74)90235-3 . [all data]

Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8 . [all data]

van Miltenburg, van den Berg, et al., 2003
van Miltenburg, J. Cees; van den Berg, Gerrit.J.K.; Ramirez, Marius, Heat Capacities and Derived Thermodynamic Functions of 1-Dodecanol and 1-Tridecanol between 10 K and 370 K and Heat Capacities of 1-Pentadecanol and 1-Heptadecanol between 300 K and 380 K and Correlations for the Heat Capacity and the Entropy of Liquid n -Alcohols, J. Chem. Eng. Data, 2003, 48, 1, 36-43, https://doi.org/10.1021/je025524o . [all data]

Acree, 1993
Acree, William E., Thermodynamic properties of organic compounds, Thermochimica Acta, 1993, 219, 97-104, https://doi.org/10.1016/0040-6031(93)80486-T . [all data]

Fomin, Legkova, et al., 1981
Fomin, a.S.; Legkova, T.N.; Morgunov, A.V.; Ignatov, V.A., Study of the kinetics of the reaction between phthalic anhydride and lauryl alcohol, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1981, 24, 1180-1182. [all data]


Notes

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