Tetracyclo[3.2.0.0(2,7).0(4,6)]heptane
- Formula: C7H8
- Molecular weight: 92.1384
- IUPAC Standard InChI: InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2
- IUPAC Standard InChIKey: DGZUEIPKRRSMGK-UHFFFAOYSA-N
- CAS Registry Number: 278-06-8
- 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: [2.2.1.02,6.03,5]Quadricycloheptane; Quadricyclane; Tetracyclo[2.2.1.0(2,6).0(3,5)]heptane; tetracyclo[2.2.1.02,6.03,5]heptane
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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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 37.3 ± 0.8 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 381.2 | 0.987 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 37.3 ± 0.8 | 317. | BG | Stephenson and Malanowski, 1987 | Based on data from 302. - 372. K. See also Hall, Smith, et al., 1973.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 1.09 | 228. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
| ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 40. | 180. | Domalski and Hearing, 1996 | CAL |
| 4.8 | 228. |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 180. | crystaline, II | crystaline, I | Kawai, Gilson, et al., 1992 | S = 40.0 J/mol*K; DH |
| 228. | crystaline, I | liquid | Kawai, Gilson, et al., 1992 | S = 4.8 J/mol*K; DH |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Hall, Smith, et al., 1973
Hall, H.K., Jr.; Smith, C.D.; Baldt, J.H.,
Enthalpies of formation of norticyclene, norbornene, norbornadiene, and quadricyclane,
J. Am. Chem. Soc., 1973, 95, 3197-3201. [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]
Kawai, Gilson, et al., 1992
Kawai, N.T.; Gilson, D.F.R.; Butler, I.S.,
The order-disorder phase transition in the cage hydrocarbon quadricyclane, Mol. Cryst. Liq. Cryst. Sci. Technol.,
Sect., 1992, A 211, 59-61. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Ttrs Temperature of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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