- Formula: C12H18
- Molecular weight: 162.2713
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: VCVMWFDNPLLHKP-UHFFFAOYSA-N
- CAS Registry Number: 6130-98-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Condensed phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||156.1 ± 2.0||kJ/mol||Ccb||Kupreev and Shimonaev, 1977|
|cH°liquid||-7450.7 ± 1.7||kJ/mol||Ccb||Kupreev and Shimonaev, 1977||Corresponding «DELTA»fHºliquid = 156.1 kJ/mol (simple calculation by NIST; no Washburn corrections)|
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C12H18+ (ion structure unspecified)
Ionization energy determinations
|8.61 ± 0.02||PE||Heilbronner, Jones, et al., 1978||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C12H18+||8.82 ± 0.04||?||EI||Bock and Seidl, 1968||RDSH|
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Kupreev and Shimonaev, 1977
Kupreev, A.I.; Shimonaev, G.S., Determination of the enthalpies of formation of liquid acetylenic hydrocarbons, Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 826-827. [all data]
Heilbronner, Jones, et al., 1978
Heilbronner, E.; Jones, T.B.; Kloster-Jensen, E.; Maier, J.P., 191. Electronic states of di-t-butylpolyacetylene radical cations, Helv. Chim. Acta, 1978, 61, 2040. [all data]
Bock and Seidl, 1968
Bock, H.; Seidl, H., d-Orbital effects in siliconsubstituted «pi»-electron systems. Part XII. Some spectroscopic properties of alkyl and silyl acetylenes and polyacetylenes, J. Chem. Soc. B, 1968, 1158. [all data]
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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