Benzeneacetic acid, α-methyl-, methyl ester

• Formula: C₁₀H₁₂O₂
• Molecular weight: 164.2011
• IUPAC Standard InChI: InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3 Copy

  
• IUPAC Standard InChIKey: DZIQUZJSNSZOCH-UHFFFAOYSA-N Copy
• CAS Registry Number: 31508-44-8
• 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: Methyl hydratropate; Hydratropic acid, methyl; Methyl 2-phenylpropionate; (.+/-.)-2-Phenylpropanoic Acid, methyl ester
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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

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

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Normal alkane RI, non-polar column, temperature ramp

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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.

Verevkin, 1999
Verevkin, Sergey P., Strain effects in phenyl substituted methanes. Geminal interactions between phenyl and alkoxycarbonyl substituent, Thermochimica Acta, 1999, 332, 1, 27-32, https://doi.org/10.1016/S0040-6031(99)00082-9 . [all data]

Caviglioli, Valeria, et al., 2002
Caviglioli, G.; Valeria, P.; Brunella, P.; Sergio, C.; Attilia, A.; Gaetano, B., Identification of degradation products of Ibuprofen arising from oxidative and thermal treatments, J. Pharm. Biomed. Anal., 2002, 30, 3, 499-509, https://doi.org/10.1016/S0731-7085(02)00400-4 . [all data]

Khudobina and Zenkevich, 1984
Khudobina, G.V.; Zenkevich, I.G., Chromato Mass Spectrometric Identification of Dimers in Recycled Styrene, VINITI, # 8039-84, 1984, 14. [all data]

Notes

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• Symbols used in this document:
  

  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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