Cyclohexanone, 4-methyl-

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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

Quantity Value Units Method Reference Comment
Tboil443.2KN/AWeast and Grasselli, 1989BS
Tboil444.6KN/AWhite and Bishop, 1940Uncertainty assigned by TRC = 0.6 K; TRC
Tboil373.5KN/ACowan, Jeffery, et al., 1939Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus232.55KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Tfus232.KN/AWhite and Bishop, 1940Uncertainty assigned by TRC = 5. K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
10.8354.Aucejo, Monton, et al., 1993Based on data from 339. to 444. K.; AC

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to C7H12O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)201.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity194.3kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Reference Comment
0.006115 ± 0.000087Hammer, Diri, et al., 2003B

Ionization energy determinations

IE (eV) Method Reference Comment
9.16PELoudet, Grimaud, 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.

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]

White and Bishop, 1940
White, A.H.; Bishop, W.S., Dielectric Evidence of Molecular Rotation in the Crystals of Certain Non-aromatic Compounds, J. Am. Chem. Soc., 1940, 62, 8-16. [all data]

Cowan, Jeffery, et al., 1939
Cowan, D.M.; Jeffery, G.H.; Vogel, A.I., Physical properties and chemical constitution. Part 4. Methylcyclohexane and the multiplanar structure of the methylcyclohexane ring., J. Chem. Soc., 1939, 1939, 1862-5. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Aucejo, Monton, et al., 1993
Aucejo, Antonio; Monton, Juan B.; Munoz, Rosa; Sanchotello, Margarita, Isobaric vapor-liquid equilibrium data for the cyclohexanone + N-methylacetamide system, J. Chem. Eng. Data, 1993, 38, 1, 160-162, https://doi.org/10.1021/je00009a039 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Hammer, Diri, et al., 2003
Hammer, N.I.; Diri, K.; Jordan, K.D.; Desfrancois, C.; Compton, R.N., Dipole-bound anions of carbonyl, nitrile, and sulfoxide containing molecules, J. Chem. Phys., 2003, 119, 7, 3650-3660, https://doi.org/10.1063/1.1590959 . [all data]

Loudet, Grimaud, et al., 1976
Loudet, M.; Grimaud, M.; Metras, F.; Pfister-Guillouzo, G., Interactions intramoleculaires en serie cyclohexanique partie II. Spectres photoelectroniques de chloro-2-cyclohexanones, J. Mol. Struct., 1976, 35, 213. [all data]


Notes

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