- Formula: C6H2Cl4
- Molecular weight: 215.892
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: GBDZXPJXOMHESU-UHFFFAOYSA-N
- CAS Registry Number: 634-66-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 1,2,3,4-Tetrachlorobenzene
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Reaction thermochemistry data
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Data compiled by: John E. Bartmess
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C6HCl4- + =
By formula: C6HCl4- + H+ = C6H2Cl4
|rH°||1541. ± 8.8||kJ/mol||G+TS||Schlosser, Marzi, et al., 2001||gas phase; Acid: 1,2,3,4-tetrachlorobenzene. Anion assigned based on ab initio calculations.|
|rG°||1507. ± 8.4||kJ/mol||IMRE||Schlosser, Marzi, et al., 2001||gas phase; Acid: 1,2,3,4-tetrachlorobenzene. Anion assigned based on ab initio calculations.|
Go To: Top, Reaction thermochemistry data, Notes
Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M., The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data, Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U . [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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