- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: PMJHHCWVYXUKFD-SNAWJCMRSA-N
- CAS Registry Number: 2004-70-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: (E)-1,3-Pentadiene; trans-Piperylene; trans-1-Methylbutadiene; trans-1,3-Pentadiene; (E)-CH2=CHCH=CHCH3; 1,trans-3-Pentadiene; Pentadiene-1,3,trans; trans-penta-1,3-diene
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Reaction thermochemistry data
Go To: Top, 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C5H7- + =
By formula: C5H7- + H+ = C5H8
|rH°||1545. ± 5.0||kJ/mol||D-EA||Zimmerman, Gygax, et al., 1978||gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid); B|
|rG°||1525. ± 7.9||kJ/mol||H-TS||Zimmerman, Gygax, et al., 1978||gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid); B|
By formula: C5H8 = C5H8
|rH°||-4.23 ± 0.75||kJ/mol||Eqk||Egger and Benson, 1965||gas phase; Heat of isomerization; ALS|
+ = ( )
By formula: Cl- + C5H8 = (Cl- C5H8)
|rG°||15.5||kJ/mol||TDEq||French, Ikuta, et al., 1982||gas phase; B|
Go To: Top, Reaction thermochemistry data, Notes
Zimmerman, Gygax, et al., 1978
Zimmerman, A.H.; Gygax, R.; Brauman, J.I., Electron photodetachment spectroscopy of polyene anions. Electron affinities of pentadienyl and heptatrienyl radicals, J. Am. Chem. Soc., 1978, 100, 5595. [all data]
Egger and Benson, 1965
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. IV. Thermodynamic data from equilibrium studies of the geometrical isomerization of 1,3-pentadiene, J. Am. Chem. Soc., 1965, 87, 3311-3314. [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [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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