Cyclobutanol

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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 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
Δfgas-145.kJ/molCcbRocek and Radkowsky, 1973ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
37.6650.Thermodynamics Research Center, 1997p=1 bar.; GT
50.20100.
58.35150.
68.09200.
87.17273.15
94.47298.15
95.02300.
124.03400.
149.18500.
169.72600.
186.57700.
200.65800.
212.60900.
222.841000.
231.71100.
239.31200.
245.91300.
251.61400.
256.61500.

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
Δvap54.4kJ/molERocek and Radkowsky, 1973ALS
Δvap54.0kJ/molN/ARocek and Radkowsky, 1973DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
396.20.977Weast and Grasselli, 1989BS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
8.53228.4Dworkin, 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:


Gas phase ion energetics 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:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C4H8O+ (ion structure unspecified)

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
792. ± 6.Cao and Holmes, 2001MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.56 ± 0.02PIBouchoux, Alcaraz, et al., 1994LL
9.25PITraeger and McAdoo, 1986LBLHLM
9.3EIMcAdoo and Hudson, 1983LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H3O+9.69C2H5PITraeger and McAdoo, 1986LBLHLM
C2H4O+9.96 ± 0.03C2H4PIBouchoux, Alcaraz, et al., 1994LL
C2H4O+9.87C2H4EIHolmes, Terlouw, et al., 1976LLK

References

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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]

Cao and Holmes, 2001
Cao, J.; Holmes, J.L., Determination of the proton affinities of secondary alcohols from the dissocation of proton-bound molecular trios, European J. Mass Spectrom., 2001, 7, 243-247. [all data]

Bouchoux, Alcaraz, et al., 1994
Bouchoux, G.; Alcaraz, C.; Dutuit, O.; Nguyen, M.T., A photoionization and molecular orbital study of cyclobutanol and cyclobutylamine radical cations, Int. J. Mass Spectrom. Ion Processes, 1994, 137, 93. [all data]

Traeger and McAdoo, 1986
Traeger, J.C.; McAdoo, D.J., Decomposition thresholds and associated translational energy releases for eight C4H8O+ isomers, Int. J. Mass Spectrom. Ion Processes, 1986, 68, 35. [all data]

McAdoo and Hudson, 1983
McAdoo, D.J.; Hudson, C.E., The decompositions of metastable [C4H8O]+ ions and the [C4H8O]+ potential surface, Org. Mass Spectrom., 1983, 18, 466. [all data]

Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P., The thermochemistry of C2H4O+ ions, J. Phys. Chem., 1976, 80, 2860. [all data]


Notes

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