Benzoic acid, 2-methyl-, methyl ester

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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil480.7KN/AAldrich Chemical Company Inc., 1990BS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
370.20.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
57.3 ± 0.2293.CMaksimuk, Kabo, et al., 1998AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
12.47228.8ACBlokhin, Paulechka, et al., 2002Based on data from 5. to 320. K.; AC
12.5228.8ACMaksimuk, Kabo, et al., 1998AC

Gas phase ion energetics data

Go To: Top, Phase change 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)858.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity827.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PEMeeks, Wahlborg, et al., 1981LLK
8.5EIYeo and Williams, 1970RDSH
9.1PEMeeks, Wahlborg, et al., 1981Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-1579
NIST MS number 233976

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References

Go To: Top, Phase change 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.

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

Maksimuk, Kabo, et al., 1998
Maksimuk, Yury V.; Kabo, Gennady J.; Simirsky, Vladimir V.; Kozyro, Alexander A.; Sevruk, Victor M., Standard Enthalpies of Formation of Some Methyl Esters of Benzene Carboxylic Acids, J. Chem. Eng. Data, 1998, 43, 3, 293-298, https://doi.org/10.1021/je970116j . [all data]

Blokhin, Paulechka, et al., 2002
Blokhin, A.V.; Paulechka, Y.U.; Kabo, G.J.; Kozyro, A.A., Thermodynamic properties of methyl esters of benzoic and toluic acids in the condensed state, The Journal of Chemical Thermodynamics, 2002, 34, 1, 29-55, https://doi.org/10.1006/jcht.2001.0852 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Meeks, Wahlborg, et al., 1981
Meeks, J.; Wahlborg, A.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls: Benzoic acid and its derivatives, J. Electron Spectrosc. Relat. Phenom., 1981, 22, 43. [all data]

Yeo and Williams, 1970
Yeo, A.N.H.; Williams, D.H., Calculation of partial mass spectra of some organic compounds undergoing competing reactions from the molecular ions, J. Am. Chem. Soc., 1970, 92, 3984. [all data]


Notes

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