Benzeneacetamide

• Formula: C₈H₉NO
• Molecular weight: 135.1632
• IUPAC Standard InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) Copy

  
• IUPAC Standard InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N Copy
• CAS Registry Number: 103-81-1
• 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: Acetamide, 2-phenyl-; α-Phenylacetamide; α-Toluamide; Phenyl-β-acetylamine; Phenylacetic acid amide; 2-Phenylacetamide; Phenylacetamide
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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

C₈H₈NO^- +  =

By formula: C₈H₈NO^- + H⁺ = C₈H₉NO

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

C₈H₈NO^- +  =

By formula: C₈H₈NO^- + H⁺ = C₈H₉NO

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (SPLIT MULL); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

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, custom temperature program

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

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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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.

Ryskalieva, Abramova, et al., 1990
Ryskalieva, A.K.; Abramova, G.V.; Nurakhmetov, N.N.; Erkasov, R.Sh., Heats of combustion and formation of α-phenylacetamide and isovaleramide, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1990, 33, 17-19. [all data]

Ciocazanu, Dogaru, et al., 1976
Ciocazanu, I.; Dogaru, V.; Zavoianu, D., Structure and reactivity of amides. Concerning the heats of combustion and formation of some unsaturated α, β amides derived from acetamide, Rev. Chim. (Bucharest), 1976, 27, 4-6. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Aihara, 1960
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. III. Amides, Bull. Chem. Soc. Jpn., 1960, 33, 9, 1188-1194, https://doi.org/10.1246/bcsj.33.1188 . [all data]

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Bonvehí, 2005
Bonvehí, J.S., Investigation of aromatic compounds in roasted cocoa powder, Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y . [all data]

Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V., Flavour index and aroma profiles of fresh and processed honeys, J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308 . [all data]

Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Krings, Zelena, et al., 2006
Krings, U.; Zelena, K.; Wu, S.; Berger, R.G., Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder, Eur. Food Res. Technol., 2006, 223, 5, 675-681, https://doi.org/10.1007/s00217-006-0252-x . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation

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