- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N
- CAS Registry Number: 78-79-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1,3-Butadiene, 2-methyl-; «beta»-Methylbivinyl; Isopentadiene; 2-Methyl-1,3-butadiene; 2-Methylbutadiene; CH2=C(CH3)CH=CH2; 2-Methylbuta-1,3-diene; 3-Methyl-1,3-butadiene; NSC 9237
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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
RCD - Robert C. Dunbar
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C5H7- + =
By formula: C5H7- + H+ = C5H8
|rH°||1613. ± 21.||kJ/mol||G+TS||Bartmess and McIver Jr., 1979||gas phase; Between H2O, MeOH. Acid: isoprene; B|
|rG°||1586. ± 21.||kJ/mol||IMRB||Bartmess and McIver Jr., 1979||gas phase; Between H2O, MeOH. Acid: isoprene; B|
By formula: C11H8N4 = C6N4 + C5H8
|rH°||157. ± 3.||kJ/mol||Cm||Rogers, 1971||solid phase; Heat of formation derived by 77PED/RYL; ALS|
By formula: C6N4 + C5H8 = C11H8N4
|rH°||-157. ± 3.||kJ/mol||Cm||Rogers, 1971||liquid phase; solvent: Dichloromethane; ALS|
+ = ( )
By formula: Ag+ + C5H8 = (Ag+ C5H8)
|rH°||164. ± 19.||kJ/mol||RAK||Ho, Yang, et al., 1997||RCD|
Go To: Top, Reaction thermochemistry data, Notes
Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]
Rogers, F.E., Thermochemistry of the Diels-Alder reaction. I. Enthalpy of addition of isoprene to tetracyanoethylene, J. Phys. Chem., 1971, 75, 1734-1737. [all data]
Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [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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