Benzene, 1,3-dichloro-
- Formula: C6H4Cl2
- Molecular weight: 147.002
- IUPAC Standard InChI: InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
- IUPAC Standard InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N
- CAS Registry Number: 541-73-1
- 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: Benzene, m-dichloro-; m-Dichlorobenzene; m-Dichlorobenzol; m-Phenylene dichloride; 1,3-Dichlorobenzene; Metadichlorobenzene; Rcra waste number U071
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Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
C6H3Cl2- + =
By formula: C6H3Cl2- + H+ = C6H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1565. ± 8.8 | kJ/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1533. ± 8.4 | kJ/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations.; B |
=
By formula: C6H4Cl2 = C6H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.0 | kJ/mol | Eqk | Godnev and Sverdlin, 1961 | gas phase; Correction of 56GOD/SVE; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Godnev and Sverdlin, 1961
Godnev, I.N.; Sverdlin, A.S.,
Equilibrium and dichlorobenzene isomer (Corrections),
Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 231-232. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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