1,8-Octanediol

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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-116.5 ± 1.2kcal/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
Δfsolid-149.8 ± 1.1kcal/molCcbKnauth and Sabbah, 1990see Knauth and Sabbah, 1989
Quantity Value Units Method Reference Comment
Δcsolid-1217.5 ± 1.1kcal/molCcbKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; Corresponding Δfsolid = -149.8 kcal/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
Ttriple332.7KN/AKnauth and Sabbah, 1990, 2Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap25.57 ± 0.53kcal/molN/APiacente, Ferro, et al., 1993See also Umnahanant, Kweskin, et al., 2006.; AC
Δvap25.19 ± 0.43kcal/molN/AKnauth and Sabbah, 1990See also Umnahanant, Kweskin, et al., 2006.; AC
Quantity Value Units Method Reference Comment
Δsub33.3 ± 0.2kcal/molCKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; ALS
Δsub33.29kcal/molN/AKnauth and Sabbah, 1990DRB
Δsub33.3 ± 0.2kcal/molCKnauth and Sabbah, 1990AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
445.20.026Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
24.1356.Piacente, Ferro, et al., 1993See also Umnahanant, Kweskin, et al., 2006.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
8.63332.8Acree, 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 compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4656
NIST MS number 230629

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Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11313.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2366.Chassagne, Boulanger, et al., 199930. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C

References

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

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

Piacente, Ferro, et al., 1993
Piacente, V.; Ferro, D.; Gatta, G.D., Vaporization enthalpies of a series of α,φ-alkanediols from vapour pressure measurements, Thermochim. Acta, 1993, 223, 65-73. [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]

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]

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]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J., Enzymatic hydrolysis of edible Passiflora fruit glycosides, Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8 . [all data]


Notes

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