Phenol, 3,4-dichloro-
- Formula: C6H4Cl2O
- Molecular weight: 163.001
- IUPAC Standard InChIKey: WDNBURPWRNALGP-UHFFFAOYSA-N
- CAS Registry Number: 95-77-2
- 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-Dichlorophenol; 4,5-Dichlorophenol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
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°gas | -150.3 ± 2.5 | kJ/mol | Ccr | Ribeiro Da Silva, Ferrao, et al., 1994 | HCl (1:600 H2O) |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
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 | -231.6 ± 1.1 | kJ/mol | Ccr | Ribeiro Da Silva, Ferrao, et al., 1994 | HCl (1:600 H2O) |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2748.6 ± 0.8 | kJ/mol | Ccr | Ribeiro Da Silva, Ferrao, et al., 1994 | HCl (1:600 H2O) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
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 |
---|---|---|---|---|---|
Tboil | 418.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 338.11 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 341.0 | K | N/A | Poeti, Faneli, et al., 1982 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 70.8 ± 0.2 | kJ/mol | GS | Verevkin, Emel'yanenko, et al., 2007 | Based on data from 341. to 368. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 89.8 ± 0.4 | kJ/mol | GS | Verevkin, Emel'yanenko, et al., 2007 | Based on data from 291. to 337. K.; AC |
ΔsubH° | 81.3 ± 2.3 | kJ/mol | C | Ribeiro Da Silva, Ferrao, et al., 1994 | HCl (1:600 H2O); ALS |
ΔsubH° | 81.3 ± 2.3 | kJ/mol | C | da Silva, 1994 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
526.7 | 1.02 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
66.7 | 355. | GS | Verevkin, Emel'yanenko, et al., 2007 | Based on data from 341. to 368. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.927 | 341.0 | Poeti, Fanelli, et al., 1982 | DH |
20.93 | 341. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
61.37 | 341.0 | Poeti, Fanelli, et al., 1982 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro Da Silva, Ferrao, et al., 1994
Ribeiro Da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Jiye, F.,
Standard enthalpies of combustion of the six dichlorophenols by rotating-bomb calorimetry,
J. Chem. Thermodyn., 1994, 26, 839-846. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Poeti, Faneli, et al., 1982
Poeti, G.; Faneli, E.; Braghetti, M.J.,
A differential scanning calorimetric study of some phenol derivatives,
Therm. Anal., 1982, 24, 2, 273, https://doi.org/10.1007/BF01913681
. [all data]
Verevkin, Emel'yanenko, et al., 2007
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Klamt, Andreas,
Thermochemistry of Chlorobenzenes and Chlorophenols: Ambient Temperature Vapor Pressures and Enthalpies of Phase Transitions,
J. Chem. Eng. Data, 2007, 52, 2, 499-510, https://doi.org/10.1021/je060429r
. [all data]
da Silva, 1994
da Silva, M.,
Standard enthalpies of combustion of the six dichlorophenols by rotating-bomb calorimetry,
The Journal of Chemical Thermodynamics, 1994, 26, 8, 839-846, https://doi.org/10.1006/jcht.1994.1100
. [all data]
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]
Poeti, Fanelli, et al., 1982
Poeti, G.; Fanelli, E.; Braghetti, M.,
A differential scanning calorimetric study of some phenol derivatives,
J. Therm. Anal., 1982, 24(2), 273-279. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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