Benzene, 1,1'-sulfonylbis[4-chloro-
- Formula: C12H8Cl2O2S
- Molecular weight: 287.162
- IUPAC Standard InChIKey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
- CAS Registry Number: 80-07-9
- 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: Sulfone, bis(p-chlorophenyl); p,p'-Dichlorodiphenyl sulfone; Bis(p-chlorophenyl) sulfone; Bis(4-chlorophenyl) sulfone; 4-Chloro-1-(4-chlorophenylsulfonyl)benzene; 4-Chlorophenyl sulfone; 4,4'-Dichlorodiphenyl sulfone; p-Chlorophenyl sulfone; 4,4'-Dichlorodiphenyl sulphone; Bis(4-chlorophenyl)sulphone; 1,1'-Sulfonylbis(4-chlorobenzene); Di-p-chlorophenyl sulfone; NSC 23899; 1-Chloro-4-[(4-chlorophenyl)sulfonyl]benzene; 85228-26-8
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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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 75.10 | cal/mol*K | N/A | Novoselova, Tsvetkova, et al., 1985 |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
64.36 | 298.15 | Novoselova, Tsvetkova, et al., 1985 | T = 14 to 480 K. |
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:
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 |
---|---|---|---|---|---|
Tfus | 421.9 | K | N/A | Olah and Gupta, 1983 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 422. | K | N/A | Novoselova, Tsvetkova, et al., 1985, 2 | Uncertainty assigned by TRC = 2. K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.3 | 478. | Dykyj, Svoboda, et al., 1999 | Based on data from 463. to 573. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.8317 | 422. | Novoselova, Tsvetkova, et al., 1985 | DH |
5.83 | 422. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.8 | 422. | Novoselova, Tsvetkova, et al., 1985 | DH |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 10277 |
Date | 1961/11/02 |
Name(s) | SULFONE, BIS(4-CHLOROPHENYL)- |
State | SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-450 CM -1) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON, CHANGED AT 5.0, 7.5, 14.9 MICRON |
Path length | SPECTRAL CONTAMINATION DUE TO OIL AROUND 807 CM-1 |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 2010 |
NIST MS number | 374814 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 2270. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 MS | 2248. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Novoselova, Tsvetkova, et al., 1985
Novoselova, N.V.; Tsvetkova, L.Ya.; Rabinovich, I.B.; Moseeva, E.M.; Faminskaya, L.A.,
Specific heat and thermodynamic functions of 4,4'-dihydroxydiphenyl-2,2-propane, 4,4'-dichlorodiphenylsulphone, and polysulphone,
Zhur. Fiz. Khim., 1985, 59, 604-608. [all data]
Olah and Gupta, 1983
Olah, G.A.; Gupta, B.G.B.,
Onium Ions 27. Oxidation of Sulfoxides to Sulfones with Nitronium Salts,
J. Org. Chem., 1983, 48, 3585-7. [all data]
Novoselova, Tsvetkova, et al., 1985, 2
Novoselova, N.V.; Tsvetkova, L.Ya.; Rabinovich, I.B.; Moseeva, E.M.; Faminskaya, L.A.,
Heat Capacity and Thermodynamic Functions of 4,4'-Dihydroxydiphenyl- 2,2-propane, 4,4'-Dichlorodiphenyl sulfone and Polysulfone,
Zh. Fiz. Khim., 1985, 59, 604. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Nadaf, Halimi, et al., 2012
Nadaf, M.; Halimi, M.; Mortazavi, M.,
Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MS,
Middle-East J. Sci. Res., 2012, 11, 2, 221-224. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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