Carbamic acid, phenyl-, 1-methylethyl ester

• Formula: C₁₀H₁₃NO₂
• Molecular weight: 179.2157
• IUPAC Standard InChI: InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12) Copy

  
• IUPAC Standard InChIKey: VXPLXMJHHKHSOA-UHFFFAOYSA-N Copy
• CAS Registry Number: 122-42-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Carbanilic acid, isopropyl ester; Agermin; Birgin; Chem-Hoe; Collavin; Iso.PPC.; Isopropyl carbanilate; Isopropyl phenyl urethane; Isopropyl phenylcarbamate; Isopropyl phenylcarbmate; IFK; INPC; IPC; IPPC; Profam; Propham; Tixit; Tuberit; Tuberite; Y 2; Isopropyl N-phenylcarbamate; N-Phenylcarbamate d'isopropyle; O-Isopropyl N-phenylcarbamate; Ban-Hoe; Beet-Kleen; Isopropil-N-fenil-carbammato; Isopropyl carbanilic acid ester; Isopropyl-N-fenyl-carbamaat; Isopropyl-N-phenyl-carbamat; Isopropyl-N-phenylurethan; IFC; N-Phenyl isopropyl carbamate; N-Phenylcarbamic acid, isopropyl ester; Ortho grass killer; Phenylcarbamic acid,1-methylethyl ester; Prophame; Triherbide; Triherbide-IPC; USAF D-9; Isopropylester kyseliny karbanilove; Premalox; N-Phenyl-O-isopropylurethane; Carbamate pesticide IPC; 1-Methylethyl phenylcarbamate; ISO.PPC; IsoPPC; Carbamic acid, phenyl, isopropyl ester; Carbamic acid, N-phenyl-, 1-methylethyl ester
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

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

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

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, isothermal

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References

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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]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato and Glasgow, 1969
Plato, C.; Glasgow, A.R., Jr., Differential scanning calorimetry as a general method for determining the purity and heat of fusion of high-purity organic chemicals. Application to 95 compounds, Anal. Chem., 1969, 41, 2, 330, https://doi.org/10.1021/ac60271a041 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H., Retention-indices on OV-1 of approximately 170 commonly used pesticides, Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093 . [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]

Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G., Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix, Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y . [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

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfusH	Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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