Benzene, 1-methoxy-4-(2-cyano-2-phenylethenyl)
- Formula: C16H13NO
- Molecular weight: 235.2805
- IUPAC Standard InChI: InChI=1S/C16H13NO/c1-18-16-9-7-13(8-10-16)11-15(12-17)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
- IUPAC Standard InChIKey: VQADOVBGJXESGV-RVDMUPIBSA-N
- CAS Registry Number: 5432-07-5
- 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: 4-Methoxy-α-phenylcinnamonitrile
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Condensed phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -116. | kJ/mol | Ccb | Zavoianu, Contineanu, et al., 1986 | |
| ΔfH°solid | -116.6 | kJ/mol | Ccb | Zavoianu, Perisanu, et al., 1982 | Authors hf298_condensed=10.02 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -8042. | kJ/mol | Ccb | Zavoianu, Contineanu, et al., 1986 | |
| ΔcH°solid | -8037. | kJ/mol | Ccb | Zavoianu, Perisanu, et al., 1982 | Authors hf298_condensed=10.02 kcal/mol |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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 | USAF ACADEMY, COLORADO SPRINGS, COLORADO 80840, J LLOYD PFLUG |
| NIST MS number | 79964 |
References
Go To: Top, Condensed phase thermochemistry 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.
Zavoianu, Contineanu, et al., 1986
Zavoianu, D.; Contineanu, I.; Moga-Gheorghe, S.; Marchidan, D.,
Structure and reactivity of nitriles. Condensation reaction of phenylacetonitrile with benzaldehydes,
Rev. Chim. (Bucharest), 1986, 37, 1055-1058. [all data]
Zavoianu, Perisanu, et al., 1982
Zavoianu, D.; Perisanu, S.; Moga-Gheorghe, S.; Bornaz, C.; Gaman, V.; Radulescu, A.,
Structure and reactivity of nitriles. Heat of combustion and of formation of unsaturated α,β-nitriles derived from benzylidenephenylacetonitrile,
Rev. Chim. (Bucharest), 1982, 33, 432-434. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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