Benzenemethanol, α-methyl-

• Formula: C₈H₁₀O
• Molecular weight: 122.1644
• IUPAC Standard InChI: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3 Copy

  
• IUPAC Standard InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-85-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Benzenemethanol, α-methyl-, (S)-
  • Benzenemethanol, α-methyl-, (R)-
• Other names: Benzyl alcohol, α-methyl-; α-Methylbenzyl alcohol; α-Phenethyl alcohol; α-Phenylethanol; α-Phenylethyl alcohol; (1-Hydroxyethyl)benzene; Ethanol, 1-phenyl-; Methylphenylcarbinol; Phenylmethylcarbinol; Styralyl alcohol; 1-Phenethyl alcohol; 1-Phenyl-1-hydroxyethane; 1-Phenylethanol; 1-Phenylethyl alcohol; sec-Phenethyl alcohol; dl-α-Methylbenzyl alcohol; Methanol, methylphenyl-; NCI-C55685; 1-Fenylethanol; Fenyl-methylkarbinol; Styrallyl alcohol; UN 2937; α-Methylbenzenemethanol; α-Hydroxyethylbenzene; NSC 25502; (S)-α-Methyl-benzenemethanol; alcohol methyl benzylic
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

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

C₈H₉O^- +  =

By formula: C₈H₉O^- + H⁺ = C₈H₁₀O

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

View reactions leading to C₈H₁₀O⁺ (ion structure unspecified)

De-protonation reactions

C₈H₉O^- +  =

By formula: C₈H₉O^- + H⁺ = C₈H₁₀O

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Anonymous, 1958
Anonymous, X., Am. Pet. Inst. Res. Proj. 50, 1958, Unpublished, 1958. [all data]

Zeiss and Tsutsui, 1953
Zeiss, H.H.; Tsutsui, M., The Carbon-Oxygen Absorption Band in the Infrared Spectra of Alcohols, J. Am. Chem. Soc., 1953, 75, 897. [all data]

Lecat, 1926
Lecat, M., New binary azeotropes: 3rd list, Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]

Huckel and Wenzke, 1944
Huckel, W.; Wenzke, U., The Association of Aromatic Alcohols, Z. Phys. Chem. (Leipzig), 1944, 193, 132-61. [all data]

Chylinski, Fras, et al., 2004
Chylinski, Krzysztof; Fras, Zbigniew; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium for Phenol + α-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n -Butyl Formate ^«8224», J. Chem. Eng. Data, 2004, 49, 1, 2-6, https://doi.org/10.1021/je025566c . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Abboud, Koppel, et al., 2013
Abboud, J.L.M.; Koppel, I.A.; Koppel, I., Additivity of substituent effects on the acidity of alcohols, J. Phys. Org. Chem., 2013, 26, 6, 467-472, https://doi.org/10.1002/poc.3110 . [all data]

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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