Benzene, 1,2-diethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
- IUPAC Standard InChIKey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
- CAS Registry Number: 135-01-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, o-diethyl-; o-Diethylbenzene; 1,2-Diethylbenzene; ortho-Diethylbenzene; 1,2-DiethyIbenzene
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -68.5 ± 1.0 | kJ/mol | Ccb | Good, 1973 | |
| ΔfH°liquid | -70.9 ± 1.8 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -5867.43 ± 0.88 | kJ/mol | Ccb | Good, 1973 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -5868.31 ± 0.88 kJ/mol; Corresponding ΔfHºliquid = -68.49 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -5865.1 ± 1.8 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -70.79 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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 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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.51 | CTS | Pitt, 1970 | RDSH |
| 8.51 | PE | Brogli, Giovannini, et al., 1973 | Vertical value; LLK |
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.
Good, 1973
Good, W.D.,
The enthalpies of combustion and formation of n-butylbenzene, the diethylbenzenes, the methyl-n-propylbenzenes, and the methyl-iso-propylbenzenes,
J. Chem. Thermodyn., 1973, 5, 707-714. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Pitt, 1970
Pitt, C.G.,
Hyperconjugation: An alternative to the concept of the pπ-dπ bond in Group IV chemistry,
J. Organomet. Chem., 1970, 23, 35. [all data]
Brogli, Giovannini, et al., 1973
Brogli, F.; Giovannini, E.; Heilbronner, E.; Schurter, R.,
Die photoelektronen spektren der benzocycloalkene,
Chem. Ber., 1973, 106, 961. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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