1,1'-Biphenyl, 4,4'-dichloro-
- Formula: C12H8Cl2
- Molecular weight: 223.098
- IUPAC Standard InChIKey: YTBRNEUEFCNVHC-UHFFFAOYSA-N
- CAS Registry Number: 2050-68-2
- 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: Biphenyl, 4,4'-dichloro-; p,p-DCBP; p,p'-Dichlorobiphenyl; 4,4'-Dichloro-1,1'-biphenyl; 4,4'-Dichlorobiphenyl; PCB 15
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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 | 3.95 | kcal/mol | Ccr | Smith, Gorin, et al., 1964 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1416.61 ± 0.15 | kcal/mol | Ccr | Smith, Gorin, et al., 1964 | |
ΔcH°solid | -1389.47 | kcal/mol | Ccb | Brull, 1935 |
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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 590.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 422.5 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 420. | K | N/A | Kaluszyner and Reuter, 1953 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 19.5 ± 0.07 | kcal/mol | CGC | Puri, Chickos, et al., 2001 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 24.8 ± 1.0 | kcal/mol | V | Smith, Gorin, et al., 1964 | ALS |
ΔsubH° | 24.8 ± 1.0 | kcal/mol | ME | Smith, Gorin, et al., 1964 | Based on data from 303. to 360. K. See also Cox and Pilcher, 1970.; AC |
ΔsubH° | 21.8 ± 1.0 | kcal/mol | ME | Smith, Gorin, et al., 1964 | Based on data from 294. to 318. K. See also Cox and Pilcher, 1970.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.2 | 368. | GC | Falconer and Bidleman, 1994 | Based on data from 343. to 393. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.8 ± 0.31 | 283. | GS | Wania, Shiu, et al., 1994 | Based on data from 263. to 303. K.; AC |
24.78 | 331. | ME | Smith, Gorin, et al., 1964 | Based on data from 303. to 360. K. See also Stephenson and Malanowski, 1987.; AC |
21.8 | 306. | ME | Smith, Gorin, et al., 1964 | Based on data from 294. to 318. K.; AC |
IR Spectrum
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Smith, Gorin, et al., 1964
Smith, N.K.; Gorin, G.; Good, W.D.; McCullough, J.P.,
The heats of combustion, sublimation, and formation of four dihalobiphenyls,
J. Phys. Chem., 1964, 68, 940-946. [all data]
Brull, 1935
Brull, L.,
Sui calori di combustione di alcuni derivati del bifenil,
Gazz. Chim. Ital., 1935, 65, 19-28. [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]
Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W.,
Study of Organic Scintillators,
J. Chem. Phys., 1956, 24, 670. [all data]
Kaluszyner and Reuter, 1953
Kaluszyner, A.; Reuter, S.,
The Reaction of Ethyl Trichloroacette with Aromatic Grignard Compounds,
J. Am. Chem. Soc., 1953, 75, 5126. [all data]
Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J.,
Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography,
Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p
. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Falconer and Bidleman, 1994
Falconer, Renee L.; Bidleman, Terry F.,
Vapor pressures and predicted particle/gas distributions of polychlorinated biphenyl congeners as functions of temperature and ortho-chlorine substitution,
Atmospheric Environment, 1994, 28, 3, 547-554, https://doi.org/10.1016/1352-2310(94)90130-9
. [all data]
Wania, Shiu, et al., 1994
Wania, Frank; Shiu, Wan-Ying; Mackay, Donald,
Measurement of the Vapor Pressure of Several Low-Volatility Organochlorine Chemicals at Low Temperatures with a Gas Saturation Method,
J. Chem. Eng. Data, 1994, 39, 3, 572-577, https://doi.org/10.1021/je00015a039
. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation 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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