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Cyclobutanol

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Gas phase thermochemistry data

Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-34.6kcal/molCcbRocek and Radkowsky, 1973ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.00150.Thermodynamics Research Center, 1997p=1 bar.; GT
12.00100.
13.95150.
16.27200.
20.83273.15
22.58298.15
22.71300.
29.644400.
35.655500.
40.564600.
44.591700.
47.957800.
50.813900.
53.2601000.
55.381100.
57.191200.
58.771300.
60.131400.
61.331500.

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
Deltafliquid-47.6kcal/molCcbRocek and Radkowsky, 1973 
Quantity Value Units Method Reference Comment
Deltacliquid-601.87 ± 0.16kcal/molCcbRocek and Radkowsky, 1973Corresponding «DELTA»fliquid = -47.59 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil396.KN/ARoberts and Sauer, 1949Uncertainty assigned by TRC = 6. K; TRC
Tboil398.KN/ARoberts and Sauer, 1949Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltavap13.0kcal/molERocek and Radkowsky, 1973ALS
Deltavap12.9kcal/molN/ARocek and Radkowsky, 1973DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
396.20.964Weast and Grasselli, 1989BS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.04228.4Dworkin, Fuchs, et al., 1982AC

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

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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

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

Cyclobutanone + Hydrogen = Cyclobutanol

By formula: C4H6O + H2 = C4H8O

Quantity Value Units Method Reference Comment
Deltar-16.23 ± 0.18kcal/molChydWiberg, Crocker, et al., 1991liquid phase
Deltar-12.7 ± 0.3kcal/molChydWiberg, Crocker, et al., 1991gas phase

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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
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, 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-1485
NIST MS number 233915

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, 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.

Rocek and Radkowsky, 1973
Rocek, J.; Radkowsky, A.E., Mechanism of the chromic acid oxidation of cyclobutanol, J. Am. Chem. Soc., 1973, 95, 7123-7132. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Roberts and Sauer, 1949
Roberts, J.D.; Sauer, C.W., J. Am. Chem. Soc., 1949, 71, 3925. [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]

Dworkin, Fuchs, et al., 1982
Dworkin, A.; Fuchs, A.H.; Ghelfenstein, M.; Szwarc, H., Cristaux vitreux. I : RMN large bande, thermocourants de dépolarisation et analyse enthalpique dans quelques cycloalcools, J. Phyique Lett., 1982, 43, 1, 21-27, https://doi.org/10.1051/jphyslet:0198200430102100 . [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]


Notes

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