Benzene, 1,1'-ethylidenebis-
- Formula: C14H14
- Molecular weight: 182.2610
- IUPAC Standard InChIKey: BSZXAFXFTLXUFV-UHFFFAOYSA-N
- CAS Registry Number: 612-00-0
- 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: Ethane, 1,1-diphenyl-; 1,1-Diphenylethane; 1,1'-Diphenylethane; 1,1'-Ethylidenebisbenzene; 1,1-Diphenylethane, as-
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
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 |
---|---|---|---|---|---|
ΔcH°liquid | -1735. | kcal/mol | Ccb | Serijan and Wise, 1951 | Corresponding ΔfHºliquid = -60. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1807.4 | kcal/mol | Ccb | Wise, Serijan, et al., 1951 | Corresponding ΔfHºliquid = 12.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1806.5 ± 0.48 | kcal/mol | Ccb | Coops, Mulder, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1806. ± 0.5 kcal/mol; See Coops, Mulder, et al., 1946; Corresponding ΔfHºsolid = 11.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
70.51 | 298.5 | Smith and Andrews, 1931 | T = 102 to 299 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 543. ± 5. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 255.14 | K | N/A | Serijan and Wise, 1951, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 255.14 | K | N/A | Wise, Serijan, et al., 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 247.25 | K | N/A | Smith and Andrews, 1931, 2 | Uncertainty assigned by TRC = 0.25 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.5 ± 0.1 | kcal/mol | GS | Verevkin, 1999 | Based on data from 293. to 328. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.3 ± 0.1 | 313. | GS | Verevkin, 1999 | Based on data from 293. to 328. K.; AC |
14.9 | 363. | A | Stephenson and Malanowski, 1987 | Based on data from 348. to 405. K.; AC |
Mass spectrum (electron ionization)
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
Spectrum
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Additional Data
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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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 60991 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Serijan and Wise, 1951
Serijan, K.T.; Wise, P.H.,
Dicyclic hydrocarbons. III. Diphenyl- and dicyclohexylalkanes through C15,
J. Am. Chem. Soc., 1951, 73, 4766-4769. [all data]
Wise, Serijan, et al., 1951
Wise, C.H.; Serijan, K.T.; Goodman, I.A.,
NACA Technical Report 1003,
NACA Technical Report 1003, 1951, 1-10. [all data]
Coops, Mulder, et al., 1953
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
Thermochemical investigations on arylethanes I. Heats of combustion of phenylethanes.,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 785. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
The heats of combustion of a number of hydrocarbons,
Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [all data]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H.,
Thermal energy studies. I. Phenyl derivatives of methane,
ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]
Serijan and Wise, 1951, 2
Serijan, K.T.; Wise, P.H.,
Dicylic Hydrocarbons. III. Diphenyl- and Dicyclohexylalkanes through C15,
J. Am. Chem. Soc., 1951, 73, 4766. [all data]
Wise, Serijan, et al., 1950
Wise, P.H.; Serijan, K.T.; Goodman, I.A.,
Correlation of Physical Properties with Molecular Structre for Dicyclic Hydrocarbons. I. 2-n-Alakylbiphenyl-1,1-alkane, α,ω-dicyclohexylalkane Series, Nat. Advis. Comm. Aeronaut., Tech. Notes, No. 2081, Lewis Flight Propulsion Lab., Cleveland, OH, 1950. [all data]
Smith and Andrews, 1931, 2
Smith, R.H.; Andrews, D.H.,
Thermal Energy Studies I. Phenyl Derivatives of Methane, Ethane and Some Related Compounds,
J. Am. Chem. Soc., 1931, 53, 3644. [all data]
Verevkin, 1999
Verevkin, Sergey P.,
Thermochemical Properties of Diphenylalkanes,
J. Chem. Eng. Data, 1999, 44, 2, 175-179, https://doi.org/10.1021/je980200e
. [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, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid 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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