Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-
- Formula: C16H18
- Molecular weight: 210.3141
- IUPAC Standard InChIKey: QFEPNMCDSBNJDB-UHFFFAOYSA-N
- CAS Registry Number: 952-80-7
- 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: Benzene, 1,1'-(1,2-ethanediyl)bis*2-methyl-
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°solid | -2110.09 ± 0.48 | kcal/mol | Ccb | Coops, Hoijtink, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2110. ± 0.5 kcal/mol; Corresponding ΔfHºsolid = -9.567 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 340. | K | N/A | Rondestvedt and Blanchard, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 330. | K | N/A | Cope and Fenton, 1951 | Uncertainty assigned by TRC = 4. K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
450.2 | 0.026 | Weast and Grasselli, 1989 | BS |
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 | 62626 |
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.
Coops, Hoijtink, et al., 1953
Coops, J.; Hoijtink, G.J.; Kramer, TH.J.E.,
Thermochemical investigations on arylethanes. II. Heats of combustion of some para and ortho tolylthanes and phenylbutanes.,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 793. [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]
Rondestvedt and Blanchard, 1956
Rondestvedt, C.S.; Blanchard, H.S.,
Arylation of Unsaturated Systems by Free Radicals V. Phenylation of o-xylene, Phenyltrimethylsilane, and Benzotrifluoride. Interpretation of Orientation Phenomena in Acylation of Substituted Benzenes,
J. Org. Chem., 1956, 21, 229. [all data]
Cope and Fenton, 1951
Cope, A.C.; Fenton, S.W.,
J. Am. Chem. Soc., 1951, 73, 1668. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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