Benzene, 1,1'-ethenylidenebis-[4-methyl-
- Formula: C16H16
- Molecular weight: 208.2982
- IUPAC Standard InChI: InChI=1S/C16H16/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11H,3H2,1-2H3
- IUPAC Standard InChIKey: HEDMCKGHZIRQLS-UHFFFAOYSA-N
- CAS Registry Number: 2919-20-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,1-di(p-Tolyl)ethylene
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Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -8668.7 ± 2.0 | kJ/mol | Ccb | Coops, Hoijtink, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -8668. ± 2. kJ/mol; Corresponding ΔfHºsolid = 85.90 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -8522. ± 2. | kJ/mol | Ccb | Coops, Hoijtink, et al., 1953, 2 | Corresponding ΔfHºsolid = -61. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias
View reactions leading to C16H16+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 900.2 | kJ/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 871.4 | kJ/mol | N/A | Hunter and Lias, 1998 |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Coops, Hoijtink, et al., 1953
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C.,
Thermochemical investigations on arylethenes. II. Heats of combustion of some para and orthotolylethenes and phenylbutadienes,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 765. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Coops, Hoijtink, et al., 1953, 2
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C.,
Thermochemical investigations on arylethynes I. Heats of combustion of some diarylethynes,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 781. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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