Carbamic acid, phenyl-, butyl ester
- Formula: C11H15NO2
- Molecular weight: 193.2423
- IUPAC Standard InChI: InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
- IUPAC Standard InChIKey: ZTIMKJROOYMUMU-UHFFFAOYSA-N
- CAS Registry Number: 1538-74-5
- 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: Carbanilic acid, butyl ester; Butyl carbanilate; Butyl N-phenylcarbamate; Butyl N-phenylurethane; Butylphenylurethane; Carbanilic acid, n-butyl ester; Phenylcarbamic acid butyl ester
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Reaction thermochemistry data
Go To: Top, Gas Chromatography, 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
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Individual Reactions
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By formula: C7H5NO + C4H10O = C11H15NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.1 ± 1.1 | kcal/mol | Cm | Pannone and Macosko, 1987 | liquid phase |
| ΔrH° | -25.1 ± 0.3 | kcal/mol | Cm | Lovering and Laidler, 1962 | solid phase |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 140. | 1591. | Gerqasimenko and Voskoboinikov, 1987 | Column length: 1. m |
| Packed | SE-30 | 140. | 1593. | Gerqasimenko and Voskoboinikov, 1987 | Column length: 1. m |
| Packed | SE-30 | 160. | 1593. | Gerqasimenko and Voskoboinikov, 1987 | Column length: 1. m |
| Packed | SE-30 | 160. | 1591. | Gudovicheva and Boitsov, 1985 | Column length: 100. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | PEG 4000 | 160. | 2172. | Gudovicheva and Boitsov, 1985 | N2, Inerton AW (0.16-0.20 mm); Column length: 1. m |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 164. | 1579. | Singlair, Macho, et al., 1989 | Nitrogen, Chromaton N AW DMCS; Column length: 2.5 m |
| Packed | SE-30 | 182. | 1603. | Singlair, Macho, et al., 1989 | Nitrogen, Chromaton N AW DMCS; Column length: 2.5 m |
| Packed | SE-30 | 200. | 1619. | Singlair, Macho, et al., 1989 | Nitrogen, Chromaton N AW DMCS; Column length: 2.5 m |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pannone and Macosko, 1987
Pannone, M.C.; Macosko, C.W.,
Kinetics of isocyanate amine reactions,
J. Appl. Polym. Sci., 1987, 34, 2409-2432. [all data]
Lovering and Laidler, 1962
Lovering, E.G.; Laidler, K.J.,
Thermochemical studies of some alcohol-isocyanate reactions,
Can. J. Chem., 1962, 40, 26-30. [all data]
Gerqasimenko and Voskoboinikov, 1987
Gerqasimenko, V.A.; Voskoboinikov, V.V.,
Thermostability and gas chromatographic retention of substituted alkylarlcarbmates,
Zh. Anal. Khim., 1987, 62, 11, 2043-2047. [all data]
Gudovicheva and Boitsov, 1985
Gudovicheva, N.N.; Boitsov, E.N.,
Gas-liquid chromatography of secondary carbamates,
Zh. Anal. Khim., 1985, 40, 8, 1521-1524. [all data]
Singlair, Macho, et al., 1989
Singlair, M.; Macho, V.; Terlandova, J.,
Fas chromatography of alkyl N-phenylcarbamates,
Chem. Papers, 1989, 43, 4, 519-525. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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