1H-Indene, 2,3-dihydro-1,1-dimethyl-
- Formula: C11H14
- Molecular weight: 146.2289
- IUPAC Standard InChI: InChI=1S/C11H14/c1-11(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
- IUPAC Standard InChIKey: UTTMVTDJCFSOFF-UHFFFAOYSA-N
- CAS Registry Number: 4912-92-9
- 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: Indan, 1,1-dimethyl-; 1,1-Dimethylindan; 1,1-Dimethylindane; 1,1-Dimethyl-(2,3-dihydroindene); 1,1-Dimethyl-2,3-dihydro-1H-indene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -0.45 ± 0.24 | kcal/mol | N/A | Smith, Gammon, et al., 1982 | Value computed using ΔfHliquid° value of -53.8±1 kj/mol from Smith, Gammon, et al., 1982 and ΔvapH° value of 51.94±0.29 kj/mol from missing citation. |
| ΔfH°gas | -0.38 ± 0.45 | kcal/mol | N/A | Good, 1971 | Value computed using ΔfHliquid° value of -53.5±1.9 kj/mol from Good, 1971 and ΔvapH° value of 51.94±0.29 kj/mol from missing citation. |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -12.86 ± 0.25 | kcal/mol | Ccb | Smith, Gammon, et al., 1982 | ALS |
| ΔfH°liquid | -12.79 ± 0.45 | kcal/mol | Ccb | Good, 1971 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1499.91 ± 0.20 | kcal/mol | Ccb | Smith, Gammon, et al., 1982 | Corresponding ΔfHºliquid = -12.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1499.97 ± 0.42 | kcal/mol | Ccb | Good, 1971 | Corresponding ΔfHºliquid = -12.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 68.86 | cal/mol*K | N/A | Lee-Bechtold, Finke, et al., 1981 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 59.61 | 298.15 | Lee-Bechtold, Finke, et al., 1981 | T = 10 to 400 K.; DH |
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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C11H14+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.47 | CTS | Pitt, 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Smith, Gammon, et al., 1982
Smith, N.K.; Gammon, B.E.; Good, W.D.,
Thermodynamics of organic compounds,
Gov. Rep. Announce. Index (U.S.). Avail. NTIS AD-A110430, 1981., 1982, 82, 2252. [all data]
Good, 1971
Good, W.D.,
The enthalpies of combustion and formation of indan and seven alkylindans,
J. Chem. Thermodyn., 1971, 3, 711-717. [all data]
Lee-Bechtold, Finke, et al., 1981
Lee-Bechtold, S.H.; Finke, H.L.; Messerly, J.F.; Scott, D.W.,
Thermodynamic properties of methyl-substituted indans,
J. Chem. Thermodyn., 1981, 13, 213-228. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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