1,1'-Biphenyl, 4-(1-methylethyl)-
- Formula: C15H16
- Molecular weight: 196.2875
- IUPAC Standard InChIKey: KWSHGRJUSUJPQD-UHFFFAOYSA-N
- CAS Registry Number: 7116-95-2
- 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-isopropyl-; 4-Isopropylbiphenyl; p-Isopropyldiphenyl; 4-Isopropyl-1,1'-biphenyl
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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
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
338.5 | 298. | Vukalovich, Rasskazov, et al., 1964 | T = 38 to 212°C. |
343.9 | 295. | Vargaftik, Kopylov, et al., 1963 | T = 293 to 670 K. Value is unsmoothed experimental datum. |
421.3 | 422. | McEwen, March 31 1956 | T = 300 to 600°C. |
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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 559. | K | N/A | Vargaftik, Kopylov, et al., 1963, 2 | Uncertainty assigned by TRC = 2. K; isomer not identified in Chem. Abst. Vapor pressuree also tabulated but not clear whether it was measured |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 391. | K | N/A | Dannley and Zaremsky, 1955 | Uncertainty assigned by TRC = 4. K |
Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C15H16 = C15H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.45 ± 0.41 | kJ/mol | Eqk | Roshchupkina, Nesterova, et al., 1987 | liquid phase; T=367.3 K |
By formula: C15H16 = C15H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.4 | kJ/mol | Eqk | Roshchupkina, Nesterova, et al., 1987 | liquid phase; T=367 K |
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.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
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. |
---|---|
Source reference | COBLENTZ NO. 7070 |
Date | Not specified, most likely prior to 1970 |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apiezon L | 200. | 1709. | Krupcík, Leclercq, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Packed | Apiezon L | 170. | 1700. | Kríz, Popl, et al., 1974 | |
Packed | Apiezon L | 185. | 1713. | Kríz, Popl, et al., 1974 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SP-1000 | 185. | 2300. | Kríz, Popl, et al., 1974 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | SP-1000 | 200. | 2255. | Kríz, Popl, et al., 1974 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2228. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 282.2 | Peterman and Delfino, 1990 | 15. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min) |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vukalovich, Rasskazov, et al., 1964
Vukalovich, M.P.; Rasskazov, D.S.; Popov, V.N.; Babikov, Yu.M.,
Thermophysical properties of monoisopropylbiphenyl,
Teploenergetika 11, 1964, No.6, 56-58. [all data]
Vargaftik, Kopylov, et al., 1963
Vargaftik, N.B.; Kopylov, N.I.; Lapushkin, S.A.; Pyatibratov, S.N.; Sokolov, S.N.,
Specific heat of some monoisopropylbiphenyls,
Izv. Vyssh. Ucheb. Zaved. Neft Gaz 6, 1963, No.3, 75-78. [all data]
McEwen, March 31 1956
McEwen, M.,
Preliminary engineering study of organic nuclear reactor coolant-moderators Monsanto Chemical Co, March 31 1956. [all data]
Vargaftik, Kopylov, et al., 1963, 2
Vargaftik, N.B.; Kopylov, N.I.; Lapushkin, S.A.; Pyatibratov, S.N.; Sokolov, S.N.,
Thermal properties of monoisopropyldiphenyl,
Izv. Vyssh. Uchebn. Zaved., Neft Gaz, 1963, 6, 3, 75-8. [all data]
Dannley and Zaremsky, 1955
Dannley, R.L.; Zaremsky, B.,
Free Radical Aromatic Substitution V. The Reaction of Benzoyl Peroxide with Alkylbenzenes,
J. Am. Chem. Soc., 1955, 77, 1588. [all data]
Roshchupkina, Nesterova, et al., 1987
Roshchupkina, I.Yu.; Nesterova, T.N.; Rozhnov, A.M.,
Equilibria of isomeric transformations of alkylbiphenyls,
J. Chem. Thermodyn., 1987, 19, 299-306. [all data]
Krupcík, Leclercq, et al., 1980
Krupcík, J.; Leclercq, P.A.; Garaj, J.; Símová, A.,
Analysis of alkylated mixtures of polychlorinated biphenyls by capillary gas chromatography-mass spectrometry,
J. Chromatogr., 1980, 191, 207-220, https://doi.org/10.1016/S0021-9673(00)86381-5
. [all data]
Kríz, Popl, et al., 1974
Kríz, J.; Popl, M.; Mostecký, J.,
Retention indices of biphenyls and diphenylalkanes,
J. Chromatogr., 1974, 97, 1, 3-13, https://doi.org/10.1016/S0021-9673(01)97577-6
. [all data]
Peng, 1996
Peng, C.T.,
Gas chromatographic identification of aromatic hydrocarbons
in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]
Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J.,
Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin,
Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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