Benzene, 1,2-dichloro-4-isocyanato-
- Formula: C7H3Cl2NO
- Molecular weight: 188.011
- IUPAC Standard InChI: InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
- IUPAC Standard InChIKey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N
- CAS Registry Number: 102-36-3
- 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: 3,4-Dichlorophenyl isocyanate; Isocyanic acid, 3,4-dichlorophenyl ester; 3,4-Dichlorfenylisokyanat; 3,4-Dichlorphenyl isocyanate
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -28.5 ± 1.0 | kcal/mol | Ccb | Selivanov and Konstantinov, 1975 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -742.0 ± 1.0 | kcal/mol | Ccb | Selivanov and Konstantinov, 1975 |
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
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.3 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 473. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 333. to 463. | 4.14525 | 1944.393 | -47.90 | Konstantinov, zhuravlev, et al., 1967 | Coefficents calculated by NIST from author's data. |
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.
Selivanov and Konstantinov, 1975
Selivanov, V.D.; Konstantinov, I.I.,
Thermochemistry of chloroaryl isocyanates,
Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 620-621. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Konstantinov, zhuravlev, et al., 1967
Konstantinov, I.I.; zhuravlev, E.Z.; Tenrova, Z.G.,
Some Physico-Chemical Properties of n-Chlorophenyl Isocyanate and 3,4-Dichlorophenylisocyanate,
Zh. Prikl. Khim. (Moscow), 1967, 40, 1084-1087. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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