Benzene, 1-chloro-4-nitro-
- Formula: C6H4ClNO2
- Molecular weight: 157.554
- IUPAC Standard InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N
- CAS Registry Number: 100-00-5
- 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: p-Chloronitrobenzene; p-Nitrochlorobenzene; p-Nitrophenyl chloride; PNCB; 1-Chloro-4-nitrobenzene; 1-Nitro-4-chlorobenzene; 4-Chloro-1-nitrobenzene; 4-Chloronitrobenzene; 4-Nitro-1-chlorobenzene; 4-Nitrochlorobenzene; p-Nitrochloorbenzeen; p-Nitrochlorobenzol; p-Nitroclorobenzene; Nitrochlorobenzene, p-; 1-Chloor-4-nitrobenzeen; 1-Chlor-4-nitrobenzol; 1-Cloro-4-nitrobenzene; Nitrochlorobenzene, para; NSC 9792
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 515.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 512.25 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 512.25 | K | N/A | Lecat, 1943 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 356. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 74.7 ± 0.1 | kJ/mol | GS | Verevkin and Schick, 2003 | Based on data from 303. to 339. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
386.2 | 0.01 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
51.3 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 515. K.; AC |
36.900 | 518. | N/A | Vorob'ev, Borisov, et al., 1981 | DH |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
71.2 | 518. | Vorob'ev, Borisov, et al., 1981 | DH |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
83.2 | 293. | ME | Stephenson and Malanowski, 1987 | Based on data from 283. to 303. K. See also Swan and Mack, 1925.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.03 | 355.1 | N/A | Straka, Ruzicka, et al., 2007 | AC |
16.17 | 356.1 | DSC | Verevkin and Schick, 2003 | AC |
11.85 | 354.6 | N/A | Domalski and Hearing, 1996 | AC |
14.1 | 357. | N/A | Masalitinova, Oleinikova, et al., 1981 | AC |
18.030 | 358. | N/A | Vorob'ev, Borisov, et al., 1981 | DH |
11.850 | 354.6 | N/A | Marchidan and Ciopec, 1978 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
69.9 | 358. | Vorob'ev, Borisov, et al., 1981 | DH |
33.4 | 354.6 | Marchidan and Ciopec, 1978 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Lecat, 1947
Lecat, M.,
Some azeotropes of which one constituant is heterocyclic nitrogen,
Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]
Lecat, 1943
Lecat, M.,
Azeotropes of Ethyl Urethane and other Azeotropes,
C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Verevkin and Schick, 2003
Verevkin, Sergey P.; Schick, Christoph,
Determination of vapor pressures, enthalpies of sublimation, enthalpies of vaporization, and enthalpies of fusion of a series of chloro-aminobenzenes and chloro-nitrobenzenes,
Fluid Phase Equilibria, 2003, 211, 2, 161-177, https://doi.org/10.1016/S0378-3812(03)00181-X
. [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]
Vorob'ev, Borisov, et al., 1981
Vorob'ev, G.I.; Borisov, N.N.; Novikova, G.A.; Efimova, V.L.,
Physicochemical properties of 2,4-dichloro-1-(4-nitrophenoxy)benzene,
Khim. Prom. (Moscow), 1981, (12), 728. [all data]
Swan and Mack, 1925
Swan, Thomas H.; Mack, Edward,
VAPOR PRESSURES OF ORGANIC CRYSTALS BY AN EFFUSION METHOD,
J. Am. Chem. Soc., 1925, 47, 8, 2112-2116, https://doi.org/10.1021/ja01685a005
. [all data]
Straka, Ruzicka, et al., 2007
Straka, Martin; Ruzicka, Kvetoslav; Ruzicka, Vlastimil,
Heat Capacities of Chloroanilines and Chloronitrobenzenes,
J. Chem. Eng. Data, 2007, 52, 4, 1375-1380, https://doi.org/10.1021/je700080k
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Masalitinova, Oleinikova, et al., 1981
Masalitinova, T.N.; Oleinikova, T.P.; Ryadnenko, V.L.; Kiseleva, N.N.; Lebedeva, N.D.,
Zh. Prikl. Khim. (Leningrad), 1981, 54, 1799. [all data]
Marchidan and Ciopec, 1978
Marchidan, D.I.; Ciopec, M.,
Relative enthalpies and related thermodynamic functions of some organic compounds by drop calorimetry,
J. Therm. Anal., 1978, 14, 131-150. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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