4,7-Methano-1H-indene, octahydro-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: LPSXSORODABQKT-UHFFFAOYSA-N
- CAS Registry Number: 6004-38-2
- 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. - Species with the same structure:
- Other names: 4,7-Methanoindan, hexahydro-; Octahydro-4,7-methano indene; Tricyclo[5.1.0-2.6]decane; Tetrahydrodicyclopentadiene; Bicyclo(2.2.1)heptane, 2,3-(1,3-propanediyl)-; Hexahydro-4,7-methanoindan; Norbornane, 2,3-trimethylene-; Tetrahydrocyclopentadiene dimer; Tricyclo(5.2.1.0(2,6))decane; Tricyclo[5.2.1.0(sup2,6)]decane; Trimethylenenorbornane; 2,3-Trimethylenenorbornane; NSC 22464; Octahydro-4,7-methano-1H-indene; Hexadyro, 4,7-methaneindene; tricyclo[5.2.1.02,6]decane
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Gas 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 |
---|---|---|---|---|---|
ΔfH°gas | -14.38 ± 0.90 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 |
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°solid | -27.03 ± 0.60 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1460.0 ± 0.6 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | Corresponding ΔfHºsolid = -26.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -1454.2 | kcal/mol | Ccb | Becker and Roth, 1934 | Corresponding ΔfHºsolid = -32.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
57.70 | 329. | Boyd, Sanwal, et al., 1971, 2 | T = 329 to 390 K. Four temperatures.; DH |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 352.0 | K | N/A | Boyd, Sanwal, et al., 1971, 3 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 12.7 ± 0.3 | kcal/mol | V | Boyd, Sanwal, et al., 1971 | ALS |
ΔsubH° | 12.6 | kcal/mol | N/A | Boyd, Sanwal, et al., 1971 | DRB |
ΔsubH° | 12.6 ± 0.31 | kcal/mol | BG | Boyd, Sanwal, et al., 1971 | Based on data from 359. to 443. K. See also Pedley and Rylance, 1977.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.0 | 409. | EB | Xing, Fang, et al., 2009 | Based on data from 394. to 457. K.; AC |
10.4 | 373. | A | Stephenson and Malanowski, 1987 | Based on data from 358. to 465. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
0.734 | 345.3 | AC | Kong, Tan, et al., 2003 | AC |
0.705 | 352. | N/A | Domalski and Hearing, 1996 | AC |
0.7051 | 352. | N/A | Boyd, Sanwal, et al., 1971, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.0 | 352. | Boyd, Sanwal, et al., 1971, 2 | 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.3 | PI | Fedorova, Potapov, et al., 1974 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1264-1271. [all data]
Becker and Roth, 1934
Becker, G.; Roth, W.A.,
Verbrennungswarmen einiger cyclischer kohlenwasserstoffe,
Ber., 1934, 67, 627-632. [all data]
Boyd, Sanwal, et al., 1971, 2
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D.,
The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons,
J. Phys. Chem., 1971, 75, 1265-1271. [all data]
Boyd, Sanwal, et al., 1971, 3
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D.,
J. Phys. Chem., 1971, 75, 1264. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]
Xing, Fang, et al., 2009
Xing, Yan; Fang, Wenjun; Li, Dan; Guo, Yongsheng; Lin, Ruisen,
Density, Viscosity, and Vapor Pressure for Binary Mixtures of Tricyclo [5.2.1.0 2.6 ] Decane and Diethyl Carbonate,
J. Chem. Eng. Data, 2009, 54, 6, 1865-1870, https://doi.org/10.1021/je800984q
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kong, Tan, et al., 2003
Kong, Li-Guo; Tan, Zhi-Cheng; Xu, Jie; Meng, Shuang-He; Bao, Xin-He,
Low-temperature heat capacity and thermodynamic properties of endo-Tricyclo[5.2.1.02,6]decane,
The Journal of Chemical Thermodynamics, 2003, 35, 12, 1897-1903, https://doi.org/10.1016/j.jct.2003.08.013
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Fedorova, Potapov, et al., 1974
Fedorova, M.S.; Potapov, V.K.; Denisov, Yu.V.; Sorokin, V.V.; Evlasheva, T.I.,
A mass-spectrometric study of the photoionisation of certain cyclic hydrocarbons,
Russ. J. Phys. Chem., 1974, 48, 1078, In original 1828. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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