Benzene, 1,1'-ethenylidenebis-[4-methyl-
- Formula: C16H16
- Molecular weight: 208.2982
- IUPAC Standard InChIKey: HEDMCKGHZIRQLS-UHFFFAOYSA-N
- CAS Registry Number: 2919-20-2
- 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: 1,1-di(p-Tolyl)ethylene
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 | -8668.7 ± 2.0 | kJ/mol | Ccb | Coops, Hoijtink, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -8668. ± 2. kJ/mol; Corresponding ΔfHºsolid = 85.90 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -8522. ± 2. | kJ/mol | Ccb | Coops, Hoijtink, et al., 1953, 2 | Corresponding ΔfHºsolid = -61. kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 101.0 ± 1.4 | kJ/mol | GS | Verevkin, 1999 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
407. to 409. | 0.0008 | Frinton Laboratories Inc., 1986 | BS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
100.3 ± 1.4 | 320. | GS | Verevkin, 1999 | Based on data from 309. to 332. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
23.31 | 334.1 | Verevkin, 1999 | AC |
Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias
View reactions leading to C16H16+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 900.2 | kJ/mol | N/A | Hunter and Lias, 1998 | |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 871.4 | kJ/mol | N/A | Hunter and Lias, 1998 |
Mass spectrum (electron ionization)
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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
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 | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 135765 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.; Faber, A.C.,
Thermochemical investigations on arylethenes. II. Heats of combustion of some para and orthotolylethenes and phenylbutadienes,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 765. [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, Hoijtink, et al., 1953, 2
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C.,
Thermochemical investigations on arylethynes I. Heats of combustion of some diarylethynes,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 781. [all data]
Verevkin, 1999
Verevkin, Sergey P.,
Thermochemical investigation on α-methyl-styrene and parent phenyl substituted alkenes,
Thermochimica Acta, 1999, 326, 1-2, 17-25, https://doi.org/10.1016/S0040-6031(98)00585-1
. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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