Benzene, 1,3,5-trichloro-2,4,6-trimethyl-
- Formula: C9H9Cl3
- Molecular weight: 223.527
- IUPAC Standard InChI: InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
- IUPAC Standard InChIKey: VMNISWKTOHUZQN-UHFFFAOYSA-N
- CAS Registry Number: 5324-68-5
- 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: Mesitylene, 2,4,6-trichloro-; 2,4,6-Trichloromesitylene; 1,3,5-Trichloro-2,4,6-trimethylbenzene
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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
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 55.543 | 300. | Fujiwara, Atake, et al., 1990 | T = 3 to 327 K. Unsmoothed experimental datum. |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 314. | crystaline, III | crystaline, II | Fujiwara, Atake, et al., 1990 | Superheating effect. |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.0339 | 158.7 | crystaline, IV | crystaline, III | Fujiwara, Atake, et al., 1990 | Anomaly splits into two peaks depending on sample history. 163.5 K, H = 87 J/mol |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | W. M. HARMS - E. J. EISENBRAUN |
| NIST MS number | 30968 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | (editor), 1973 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 18970 |
| Instrument | SF-16 |
| Melting point | 203.0-205.0 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fujiwara, Atake, et al., 1990
Fujiwara, T.; Atake, T.; Chihara, H.,
Heat capacities and phase transitions of crystalline 1,3,5-trichloro-2,4,6-trimethylbenzene,
Bull. Chem. Soc. Jpn., 1990, 63(3), 657-665. [all data]
(editor), 1973
(editor), Koptyug V.A.,
Atlas of Spectra of Aromatic and Heterocyclic Compounds, 1973, 3, 17. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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