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Benzenemethanol, «alpha»-methyl-

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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

Quantity Value Units Method Reference Comment
Tboil476.85KN/AAnonymous, 1968TRC
Tboil476.55KN/AAnonymous, 1958TRC
Tboil475.65KN/AZeiss and Tsutsui, 1953Uncertainty assigned by TRC = 2. K; TRC
Tboil492.6KN/ALecat, 1926Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus293.85KN/AAnonymous, 1968TRC
Tfus294.55KN/AAnonymous, 1958TRC
Tfus288.KN/AHuckel and Wenzke, 1944Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltavap18.0kcal/molEBChylinski, Fras, et al., 2004Based on data from 358. - 398. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
477.20.980Weast and Grasselli, 1989BS

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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- + Hydrogen cation = Benzenemethanol, α-methyl-

By formula: C8H9O- + H+ = C8H10O

Quantity Value Units Method Reference Comment
Deltar368.1 ± 2.5kcal/molG+TSAbboud, Koppel, et al., 2013gas phase
Quantity Value Units Method Reference Comment
Deltar361.5 ± 2.4kcal/molIMREAbboud, Koppel, et al., 2013gas phase
Deltar361.3 ± 2.8kcal/molCIDCGraul, Schnute, et al., 1990gas phase

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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- + Hydrogen cation = Benzenemethanol, α-methyl-

By formula: C8H9O- + H+ = C8H10O

Quantity Value Units Method Reference Comment
Deltar368.1 ± 2.5kcal/molG+TSAbboud, Koppel, et al., 2013gas phase
Quantity Value Units Method Reference Comment
Deltar361.5 ± 2.4kcal/molIMREAbboud, Koppel, et al., 2013gas phase
Deltar361.3 ± 2.8kcal/molCIDCGraul, Schnute, et al., 1990gas phase

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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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291397

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

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

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

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 + «alpha»-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

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