- Formula: C4H5-
- Molecular weight: 53.0830
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XUZNJNLJHBFSNT-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other data available:
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: John E. Bartmess
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By formula: C4H5- + H+ = C4H6
|rH°||1693. ± 6.3||kJ/mol||CIDC||Tian, Fattahi, et al., 2006||gas phase|
|rH°||1661. ± 21.||kJ/mol||G+TS||Kass, Filley, et al., 1986||gas phase|
|rG°||1659. ± 6.7||kJ/mol||H-TS||Tian, Fattahi, et al., 2006||gas phase|
|rG°||1628. ± 21.||kJ/mol||IMRB||Kass, Filley, et al., 1986||gas phase|
Go To: Top, Reaction thermochemistry data, Notes
Tian, Fattahi, et al., 2006
Tian, Z.X.; Fattahi, A.; Lis, L.; Kass, S.R., Cycloalkane and cycloalkene C-H bond dissociation energies, J. Am. Chem. Soc., 2006, 128, 51, 17087-17092, https://doi.org/10.1021/ja065348u . [all data]
Kass, Filley, et al., 1986
Kass, S.R.; Filley, J.; Van Doren, J.M.; DePuy, C.H., Nitrous oxide in gas-phase ion-molecule chemistry: A versatile reagent for the determination of carbanion structure, J. Am. Chem. Soc., 1986, 108, 2849. [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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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