1,7-Heptanediol
- Formula: C7H16O2
- Molecular weight: 132.2007
- IUPAC Standard InChIKey: SXCBDZAEHILGLM-UHFFFAOYSA-N
- CAS Registry Number: 629-30-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Heptamethylene glycol; α,ω-Heptanediol; Heptane-1,7-diol; 1,7-Dihydroxyheptane; ω-Heptanediol
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Phase change data
Go To: Top, 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:
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 |
---|---|---|---|---|---|
Tboil | 532.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 535.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 337.15 | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 293.15 | K | N/A | Crombie and Jacklin, 1957 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 295.0 | K | N/A | Knauth and Sabbah, 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 96.5 ± 3.2 | kJ/mol | N/A | Piacente, Ferro, et al., 1994 | See also Umnahanant, Kweskin, et al., 2006.; AC |
ΔvapH° | 96.6 ± 0.6 | kJ/mol | C | Knauth and Sabbah, 1990, 2 | see Knauth and Sabbah, 1989; ALS |
ΔvapH° | 96.6 | kJ/mol | N/A | Knauth and Sabbah, 1990, 2 | DRB |
ΔvapH° | 96.2 ± 1.2 | kJ/mol | N/A | Knauth and Sabbah, 1990, 2 | See also Umnahanant, Kweskin, et al., 2006.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
92.4 | 341. | Piacente, Ferro, et al., 1994 | See also Umnahanant, Kweskin, et al., 2006.; AC |
93.8 | 323. | Knauth and Sabbah, 1990, 2 | See also Umnahanant, Kweskin, et al., 2006.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.3 | 295.2 | Acree, 1991 | AC |
IR Spectrum
Go To: Top, Phase change 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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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 | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 |
References
Go To: Top, 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.
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
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]
Knauth and Sabbah, 1990, 2
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]
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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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