Benzeneacetic acid, α-cyano-, ethyl ester

• Formula: C₁₁H₁₁NO₂
• Molecular weight: 189.2105
• IUPAC Standard InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3 Copy

  
• IUPAC Standard InChIKey: SXIRJEDGTAKGKU-UHFFFAOYSA-N Copy
• CAS Registry Number: 4553-07-5
• Chemical structure:
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• Other names: Acetic acid, cyanophenyl-, ethyl ester; Ethyl cyanophenylacetate; Phenylcyanoacetic acid ethyl ester; Ethyl phenylcyanoacetate; Ethyl α-cyanophenylacetate; Ethyl 2-cyano-2-phenylacetate; Ethyl α-cyano-α-phenylacetate; Ethyl ester of α-cyanobenzeneacetic acid
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
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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: Robert L. Brown and Stephen E. Stein

Gas phase ion energetics 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: John E. Bartmess

De-protonation reactions

C₁₁H₁₀NO₂^- +  =

By formula: C₁₁H₁₀NO₂^- + H⁺ = C₁₁H₁₁NO₂

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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Koppel, Koppel, et al., 2000
Koppel, I.A.; Koppel, J.; Pihl, V.; Leito, I.; Mishima, M.; Vlasov, V.M.; Yagupolskii, L.M.; Taft, R.W., Comparison of Bronsted acidities of neutral CH acids in gas phase and dimethyl sulfoxide, J. Chem. Soc. Perkin Trans., 2000, 2, 6, 1125-1133, https://doi.org/10.1039/b001792m . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrG°	Free energy of reaction at standard conditions

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