1,7-Heptanediol

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-477.6 ± 9.3kJ/molCcbKnauth and Sabbah, 1990see Knauth and Sabbah, 1989

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-574.2 ± 9.3kJ/molCcbKnauth and Sabbah, 1990see Knauth and Sabbah, 1989
Quantity Value Units Method Reference Comment
Δcliquid-4467.0 ± 9.3kJ/molCcbKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; Corresponding Δfliquid = -574.2 kJ/mol (simple calculation by NIST; no Washburn corrections)

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.

Quantity Value Units Method Reference Comment
Tboil532.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil535.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus337.15KN/AAnonymous, 1958Uncertainty assigned by TRC = 2. K; TRC
Tfus293.15KN/ACrombie and Jacklin, 1957Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Ttriple295.0KN/AKnauth and Sabbah, 1990, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap96.5 ± 3.2kJ/molN/APiacente, Ferro, et al., 1994See also Umnahanant, Kweskin, et al., 2006.; AC
Δvap96.6 ± 0.6kJ/molCKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; ALS
Δvap96.6kJ/molN/AKnauth and Sabbah, 1990DRB
Δvap96.2 ± 1.2kJ/molN/AKnauth and Sabbah, 1990See also Umnahanant, Kweskin, et al., 2006.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Reference Comment
92.4341.Piacente, Ferro, et al., 1994See also Umnahanant, Kweskin, et al., 2006.; AC
93.8323.Knauth and Sabbah, 1990See also Umnahanant, Kweskin, et al., 2006.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
21.3295.2Acree, 1991AC

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

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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

Gas Phase Spectrum

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IR spectrum
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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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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, 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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-4191
NIST MS number 230292

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, 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.

Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R., Energetics of intra- and intermolecular bonds in ω-alkanediols. III. Thermochemical study of 1,6-hexanediol, 1,8-octanediol, 1,9-nonanediol, and 1,10-decanediol at 298.15K, Can. J. Chem., 1990, 68, 731-734. [all data]

Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R., Combustion calorimetry on milligram samples of hydroscopic solid substances with a CRMT rocking bomb calorimeter thermochemical study of ω-alkanediols at 298.15 K. part II, J. Chem. Thermodyn., 1989, 21, 779-784. [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]

Anonymous, 1958
Anonymous, P., , 1958. [all data]

Crombie and Jacklin, 1957
Crombie, L.; Jacklin, Lipids Part V. Total Synthesis of Ximenynic Acid, Homoricinstearolic Acid, and Two Fatty Hydroxy-Acids with ALlenic Side Chains, J. Chem. Soc., 1957, 1957, 1622. [all data]

Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R., Can. J. Chem., 1990, 68, 731. [all data]

Piacente, Ferro, et al., 1994
Piacente, Vincenzo; Ferro, Daniela; Gatta, Giuseppe Della, Vaporization enthalpies of five odd-numbered (C7 to C15) α,ω-alkanediols, Thermochimica Acta, 1994, 232, 2, 317-321, https://doi.org/10.1016/0040-6031(94)80072-3 . [all data]

Umnahanant, Kweskin, et al., 2006
Umnahanant, Pataporn; Kweskin, Shasha; Nichols, Gary; Dunn, Matthew J.; Smart-Ebinne, Hareta; Chickos, James S., Vaporization Enthalpies of the α,ω-Alkanediols by Correlation Gas Chromatography, J. Chem. Eng. Data, 2006, 51, 6, 2246-2254, https://doi.org/10.1021/je060333x . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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