2-Buten-1-one, 3-(methylamino)-1-phenyl-
- Formula: C11H13NO
- Molecular weight: 175.2270
- IUPAC Standard InChI: InChI=1S/C11H13NO/c1-9(12-2)8-11(13)10-6-4-3-5-7-10/h3-8,12H,1-2H3/b9-8+
- IUPAC Standard InChIKey: AYAHPVFYLSWGGO-CMDGGOBGSA-N
- CAS Registry Number: 14091-93-1
- 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: Crotonophenone, 3-(methylamino)-; 3-(Methylamino)-1-phenyl-2-buten-1-one; 3-(Methylamino)-1-phenyl-but-2-enone; (E)-3-(Methylamino)-1-phenyl-but-2-enone
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Gas phase thermochemistry data
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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -53.7 ± 4.7 | kJ/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1993 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -152.9 ± 2.1 | kJ/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1993 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6033.6 ± 1.5 | kJ/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1993 |
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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 99.2 ± 4.2 | kJ/mol | C | Da Silva, Da Silva, et al., 1993 | AC |
| ΔsubH° | 99.2 ± 4.2 | kJ/mol | C | Ribeiro da Silva, Ribeiro da Silva, et al., 1993 | ALS |
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 | D.H.WILLIAMS CHEMISTRY DEPT., UNIVERSITY OF CAMBRIDGE |
| NIST MS number | 7061 |
References
Go To: Top, Gas phase thermochemistry data, 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.
Ribeiro da Silva, Ribeiro da Silva, et al., 1993
Ribeiro da Silva, M.A.V.; Ribeiro da Silva, M.D.M.C.; Paiva, J.P.A.; Nogueira, I.M.C.S.; Damas, A.M.; Barkley, J.V.; Harding, M.M.; Akello, M.J.; Pilcher, G.,
Thermochemical and crystallographic studies of some β-ketoimine derivates,
J. Chem. Soc. Perkin Trans. 2, 1993, 1765-1769. [all data]
Da Silva, Da Silva, et al., 1993
Da Silva, Manuel A.V. Ribeiro; Da Silva, Maria D.M.C. Ribeiro; Paiva, Jos«65533» P.A.; Nogueira, Isabel M.C.S.; Damas, A. Margarida; Berkley, James V.; Harding, Marjorie M.; Akello, Margaret J.; Pilcher, Geoffrey,
Thermochemical and crystallographic studies of some ?-ketoimine derivatives,
J. Chem. Soc., Perkin Trans. 2, 1993, 10, 1765, https://doi.org/10.1039/p29930001765
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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