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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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 |
|---|---|---|---|---|---|
| ΔcH°solid | -6077. ± 3. | kJ/mol | Ccb | Zhuravlev, Serukhina, et al., 1965 |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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By formula: C7H5NO + C4H10O = C11H15NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -83.9 ± 4.4 | kJ/mol | Cm | Pannone and Macosko, 1987 | liquid phase |
| ΔrH° | -105. ± 1. | kJ/mol | Cm | Lovering and Laidler, 1962 | solid phase |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (2 mg / 100 mg KBr); Not specified, most likely a grating spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLID (KBr PELLET); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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. |
|---|---|
| NIST MS number | 32680 |
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, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zhuravlev, Serukhina, et al., 1965
Zhuravlev, E.Z.; Serukhina, S.Ya.; Konstantinov, I.I.,
Heats of combustion of certain phenylcarbamate esters (carbanilates),
J. Appl. Chem. USSR (Engl. Transl.), 1965, 38, 2775-2776. [all data]
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, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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