Benzene, 1,4-dichloro-
- Formula: C6H4Cl2
- Molecular weight: 147.002
- IUPAC Standard InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
- CAS Registry Number: 106-46-7
- 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. - Isotopologues:
- Other names: Benzene, p-dichloro-; p-Chlorophenyl chloride; p-Dichlorobenzene; Di-chloricide; Evola; Paradi; Paradow; Paramoth; Persia-Perazol; PDB; Santochlor; 1,4-Dichlorobenzene; p-Dichlorobenzol; Paradichlorobenzol; para-Dichlorobenzene; p-Dichloorbenzeen; p-Dichlorbenzol; p-Diclorobenzene; Dichlorobenzene; Dichlorobenzene, p-; NCI-C54955; para crystals; Paracide; Paranuggets; Parazene; 1,4-Dichloorbenzeen; 1,4-Dichlor-benzol; 1,4-Diclorobenzene; Dichlorobenzene, para; Globol; Paradichlorbenzol; Rcra waste number U070; Rcra waste number U071; Rcra waste number U072; UN 1592; Dichlorocide; Kaydox; p-Dichlorbenzene; NSC 36935; 1,4-chlorobenzene
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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° | 377.0 ± 2.1 | kcal/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: p-dichlorobenzene.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 368.8 ± 2.0 | kcal/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: p-dichlorobenzene.; B |
By formula: C6H4Cl2 = C6H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.96 | kcal/mol | Eqk | Godnev and Sverdlin, 1961 | gas phase; Correction of 56GOD/SVE; ALS |
By formula: C6H4Cl2 = C6H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.104 | kcal/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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