- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: HVCFCNAITDHQFX-UHFFFAOYSA-N
- CAS Registry Number: 765-43-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Ketone, cyclopropyl methyl; Acetylcyclopropane; Cyclopropyl methyl ketone; Methyl cyclopropyl ketone; 1-Cyclopropylethanone; NSC 1940
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - 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.
C5H7O- + =
By formula: C5H7O- + H+ = C5H8O
|rH°||365.7 ± 4.1||kcal/mol||G+TS||Brickhouse and Squires, 1988||gas phase; Between MeCHO, Me2C=NOH; B|
|rG°||359.0 ± 4.0||kcal/mol||IMRB||Brickhouse and Squires, 1988||gas phase; Between MeCHO, Me2C=NOH; B|
C5H9O+ + = (C5H9O+ )
By formula: C5H9O+ + C5H8O = (C5H9O+ C5H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
|rH°||27.1||kcal/mol||PHPMS||Szulejko and McMahon, 1991||gas phase; M|
|rS°||29.4||cal/mol*K||PHPMS||Szulejko and McMahon, 1991||gas phase; M|
By formula: C5H8O = C5H8O
|rH°||-2.3 ± 0.79||kcal/mol||Eqk||Cocks and Egger, 1973||gas phase; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Brickhouse and Squires, 1988
Brickhouse, M.D.; Squires, R.R., Gas Phase Bronsted vs. Lewis Acid-Base Reactions of 6,6-Dimethylfulvene. A Sensitive Probe of the Electronic Structures of Organic Anions, J. Am. Chem. Soc., 1988, 110, 9, 2706, https://doi.org/10.1021/ja00217a002 . [all data]
Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]
Cocks and Egger, 1973
Cocks, A.T.; Egger, K.W., Gas-phase thermal unimolecular isomerizations of acetylcyclopropane. Part I. The equilibrium between 2,3-dihydro-5-methylfuran and acetylcyclopropane, J. Chem. Soc. Perkin Trans. 2, 1973, 197-199. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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