Benzene, 1,1'-butylidenebis-
- Formula: C16H18
- Molecular weight: 210.3141
- IUPAC Standard InChIKey: SZFDQMKAGLCYPA-UHFFFAOYSA-N
- CAS Registry Number: 719-79-9
- 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: 1,1-Diphenylbutane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible 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 |
---|---|---|---|---|---|
ΔcH°liquid | -8912. | kJ/mol | Ccb | Serijan and Wise, 1952 | Corresponding ΔfHºliquid = 42. kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -8901.5 | kJ/mol | Ccb | Wise, Serijan, et al., 1951 | Corresponding ΔfHºliquid = 33. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible 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 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 560.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 568.44 | K | N/A | Serijan and Wise, 1952, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 567.44 | K | N/A | Wise, Serijan, et al., 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 560. | K | N/A | Sabatier and Murat, 1915 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 560. | K | N/A | Sabatier and Murat, 1913 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 248.0 | K | N/A | Serijan and Wise, 1952, 2 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 77.2 ± 0.6 | kJ/mol | GS | Verevkin, 1999 | Based on data from 298. to 342. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
75.9 ± 0.6 | 320. | GS | Verevkin, 1999 | Based on data from 298. to 342. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, UV/Visible 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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, 1990. |
NIST MS number | 114784 |
UV/Visible spectrum
Go To: Top, Condensed phase thermochemistry data, 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.
Spectrum
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Additional Data
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Source | Kusakov, et al., 1963 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20071 |
Instrument | unknown |
Melting point | 27 |
Boiling point | 287 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Serijan and Wise, 1952
Serijan, K.T.; Wise, P.H.,
Dicyclic hydrocarbons. V. Synthesis and physical properties of the diphenyl- and dicyclohexylbutanes,
J. Am. Chem. Soc., 1952, 74, 365-368. [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]
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]
Serijan and Wise, 1952, 2
Serijan, K.T.; Wise, P.H.,
Dicyclic hydrocarbons. V. Synthesis and physical properties of the diphenyl - and dicyclohexylbutanes,
J. Am. Chem. Soc., 1952, 74, 365-8. [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]
Sabatier and Murat, 1915
Sabatier, P.; Murat, M.,
Ann. Chim. (Paris), 1915, 4, 253. [all data]
Sabatier and Murat, 1913
Sabatier, P.; Murat, M.,
C. R. Hebd. Seances Acad. Sci., 1913, 156, 1430. [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]
Kusakov, et al., 1963
Kusakov, M.M., et al.,
Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 211. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid 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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