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:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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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
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • 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: Robert L. Brown and Stephen E. Stein

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: John E. Bartmess

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

C₁₁H₁₀NO₂^- +  =

By formula: C₁₁H₁₀NO₂^- + H⁺ = C₁₁H₁₁NO₂

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

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

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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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