Hexamethylbenzene, deuterated
- Formula: C12D18
- Molecular weight: 180.3822
- IUPAC Standard InChI: InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3
- IUPAC Standard InChIKey: YUWFEBAXEOLKSG-NBDUPMGQSA-N
- CAS Registry Number: 4342-40-9
- Chemical structure:
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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 by: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°solid,1 bar | 348.06 | J/mol*K | N/A | Fujiwara, Inaba, et al., 1992 |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 290.51 | 300. | Fujiwara, Inaba, et al., 1992 | T = 4 to 300 K. |
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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 68.2 | kJ/mol | CGC | Zhao, Unhannanant, et al., 2008 | AC |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 381. | crystaline, III | crystaline, I | Fujiwara, Inaba, et al., 1992 | DH |
| 437. | crystaline, I | liquid | Fujiwara, Inaba, et al., 1992 | DH |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.730 | 132.4 | crystaline, III | crystaline, II | Fujiwara, Inaba, et al., 1992 | DH |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 13.1 | 132.4 | crystaline, III | crystaline, II | Fujiwara, Inaba, et al., 1992 | 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.
Fujiwara, Inaba, et al., 1992
Fujiwara, T.; Inaba, A.; Atake, T.; Chihara, H.,
Thermodynamic properties of deuterated hexamethylbenzene and of its solid solutions with the hydrogenated analog. A large isotope effect on the phase transition at the temperature 117 K,
J. Chem. Thermodynam., 1992, 24, 863-881. [all data]
Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S.,
Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects,
J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s
. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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