[1,1'-Bicyclohexyl]-2-one


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-324.0 ± 1.5kJ/molCcbMarachik, Kozyro, et al., 1992Hfusion=18.00±0.40 kJ/mol

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-391.0 ± 1.4kJ/molCcbMarachik, Kozyro, et al., 1992Hfusion=18.00±0.40 kJ/mol
Quantity Value Units Method Reference Comment
Δcsolid-7189.49 ± 0.98kJ/molCcbMarachik, Kozyro, et al., 1992Hfusion=18.00±0.40 kJ/mol; Corresponding Δfsolid = -390.93 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple277.KN/AKozyro, Simirsky, et al., 1990Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc787.KN/AAnselme and Teja, 1990Uncertainty assigned by TRC = 35. K; TRC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
18.0277.Marachuk, Kozyro, et al., 1992AC

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-3831
NIST MS number 227979

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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

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySE-301496.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1975.Vinogradov, 2004Program: not specified

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Marachik, Kozyro, et al., 1992
Marachik, L.I.; Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Ya.; Yursha, I.A.; Krasulin, A.P.; Sevruk, V.M., Thermodynamic characteristics of by-products from caprolactam synthesis, J. Appl. Chem. USSR, 1992, 65, 710-715. [all data]

Kozyro, Simirsky, et al., 1990
Kozyro, A.A.; Simirsky, V.V.; Marachuk, L.I.; Kabo, G.Ya.; Yursha, I., Thermodynamic properties of some products of condensation of cyclohexanone in Vses. Konf. Term. Org. Soedin. 6th, Minsk, p 44, 1990. [all data]

Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S., The critical properties of rapidly reacting substances, AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]

Marachuk, Kozyro, et al., 1992
Marachuk, L.I.; Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Ya.; Yursha, I.A.; Krasulin, A.P.; Sveruk, V.M., Thermodynamic properties of some byproducts of caprolactam synthesis, Zh. Prikl. Khim. (S.-Peterburg), 1992, 65, 4, 875. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]


Notes

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