Benzene, 1-chloro-4-isocyanato-
- Formula: C7H4ClNO
- Molecular weight: 153.566
- IUPAC Standard InChI: InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
- IUPAC Standard InChIKey: ADAKRBAJFHTIEW-UHFFFAOYSA-N
- CAS Registry Number: 104-12-1
- 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: Isocyanic acid, p-chlorophenyl ester; p-Chlorophenyl isocyanate; 1-Chloro-4-isocyanatobenzene; 4-Chlorophenyl isocyanate; para-Chlorophenyl isocyanate; 4-Chloro-iso-cyanatobenzene; p-Chlorfenylisokyanat; PCPI; NSC 76589; Phenylisocyanate, 4-chloro (Monuron decomposition product)
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -3320.5 ± 5.1 | kJ/mol | Ccb | Zalikin, Kochetkov, et al., 1965 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -83.7 ± 4.2 | kJ/mol | Ccb | Selivanov and Konstantinov, 1975 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3259. ± 4.2 | kJ/mol | Ccb | Selivanov and Konstantinov, 1975 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 210.9 | 282. | Zalikin, Kochetkov, et al., 1965 | T = 273 to 290 K. Mean value.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zalikin, Kochetkov, et al., 1965
Zalikin, A.A.; Kochetkov, V.L.; Strepikheev, Yu.A.,
Some physical and physicochemical constants of m- and p-chloroaniline and of m- and p-chlorophenyl isocyanate,
Khim. Prom. (Moscow), 1965, 41, 338. [all data]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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