2-Cyclopropen-1-one, 2,3-diphenyl-
- Formula: C15H10O
- Molecular weight: 206.2393
- IUPAC Standard InChIKey: HCIBTBXNLVOFER-UHFFFAOYSA-N
- CAS Registry Number: 886-38-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cyclopropenone, diphenyl-; Cyclopropenone, 2,3-diphenyl-; Diphenylcyclopropenone; 2,3-Diphenylcyclopropenone; 2,3-Diphenyl-2-cyclopropen-1-one; Diphencyprone; DPC; 2,3-diphenylcycloprop-2-en-1-one
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 317.7 ± 8.2 | kJ/mol | Ccr | Steele, Gammon, et al., 1985 | |
ΔfH°gas | 360. ± 20. | kJ/mol | Cpha | Grabowski, Simon, et al., 1984 | |
ΔfH°gas | 552.3 | kJ/mol | Ccb | Hopkins, Bostwick, et al., 1976 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.56 | PE | Muller, Schweig, et al., 1978 | Vertical value; LLK |
8.47 | PE | Dehmlow, Dehmlow, et al., 1977 | Vertical value; LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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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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-7225 |
NIST MS number | 235961 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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.
Steele, Gammon, et al., 1985
Steele, W.V.; Gammon, B.E.; Smith, N.K.; Chickos, J.S.; Greenberg, A.; Liebman, J.F.,
The standard molar enthalpy of formation of 2,3-diphenylcycloprop-2-en-1-one,
J. Chem. Thermodyn., 1985, 17, 505-511. [all data]
Grabowski, Simon, et al., 1984
Grabowski, J.J.; Simon, J.D.; Peters, K.S.,
Heat of formation of diphenylcyclopropenone by photoacoustic calorimetry,
J. Am. Chem. Soc., 1984, 106, 4615-4616. [all data]
Hopkins, Bostwick, et al., 1976
Hopkins, H.P., Jr.; Bostwick, D.; Alexander, C.J.,
The thermochemistry of diphenylcyclopropenone. Strain vs. delocalization energy,
J. Am. Chem. Soc., 1976, 98, 1355-1357. [all data]
Muller, Schweig, et al., 1978
Muller, C.; Schweig, A.; Vermeer, H.,
Photoelectron spectra of 1,2-diphenylcyclopropene, 2,3-diphenylcyclopropenone, 2,3-diphenylcyclopropenethione, 2,3-diphenylthiirene and 1-oxide; cis-stilbene, An experimental verification of conjugative inductive interactions,
J. Am. Chem. Soc., 1978, 100, 8056. [all data]
Dehmlow, Dehmlow, et al., 1977
Dehmlow, E.V.; Dehmlow, S.S.; Marschner, F.,
Chemische und photoelektronenspektroskopische Eigenschaften von cyclopropylsubstituierten Cyclopropenonen,
Chem. Ber., 1977, 110, 154. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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