1H-Indene, octahydro-, trans-
- Formula: C9H16
- Molecular weight: 124.2233
- IUPAC Standard InChI: InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m0/s1
- IUPAC Standard InChIKey: BNRNAKTVFSZAFA-IUCAKERBSA-N
- CAS Registry Number: 3296-50-2
- 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. - Stereoisomers:
- Other names: Indan, hexahydro-, trans-; trans-Bicyclo[4.3.0]nonane; trans-Hexahydroindan; trans-Hydrindane; trans-Perhydroindene; trans-Octahydro-1H-indene; Octahydro-1H-indene, trans; Indene, octahydro-, trans-; trans-Hydrindan; trans-Hexahydrindan
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Condensed phase 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:
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 | -42.15 ± 0.40 | kcal/mol | Ccb | Browne and Rossini, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1350.86 ± 0.40 | kcal/mol | Ccb | Browne and Rossini, 1960 | Corresponding ΔfHºliquid = -42.12 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1348.2 ± 1.4 | kcal/mol | Ccb | Huckel, Kamenz, et al., 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1347. ± 2. kcal/mol; Corresponding ΔfHºliquid = -44.78 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 61.869 | cal/mol*K | N/A | Finke, McCullough, et al., 1972 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 50.120 | 298.15 | Finke, McCullough, et al., 1972 | T = 10 to 400 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Browne and Rossini, 1960
Browne, C.C.; Rossini, F.D.,
Heats of combustion, formation, and isomerization of the cis and trans isomers of hexahydroindan,
J. Phys. Chem., 1960, 64, 927-931. [all data]
Huckel, Kamenz, et al., 1937
Huckel, W.; Kamenz, E.; Gross, A.; Tappe, W.,
Zur kenntnis der waldenschen umkehrung,
Ann. Chim., 1937, 533, 1-45. [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]
Finke, McCullough, et al., 1972
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Osborn, A.; Douslin, D.R.,
cis- and trans-Hexahydroindan. Chemical thermodynamic properties and isomerization equilibrium,
J. Chem. Thermodyn., 1972, 4, 477-494. [all data]
Notes
Go To: Top, Condensed phase thermochemistry 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°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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