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Benzoic acid, 4-methyl-

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Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-330.4 ± 1.5kJ/molCcbColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; ALS
Deltafgas-330.4kJ/molN/ACorral, 1960Value computed using «DELTA»fHsolid° value of -429.2±1.1 kj/mol from Corral, 1960 and «DELTA»subH° value of 98.8 kj/mol from Colomina, Jimenez, et al., 1986.; DRB
Deltafgas-324.5kJ/molN/ABreitenbach and Derkosch, 1951Value computed using «DELTA»fHsolid° value of -423.3±3.8 kj/mol from Breitenbach and Derkosch, 1951 and «DELTA»subH° value of 98.8 kj/mol from Colomina, Jimenez, et al., 1986.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-429.2 ± 1.5kJ/molCcbColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; ALS
Deltafsolid-429.2 ± 1.1kJ/molCcbCorral, 1960Different experiments; ALS
Deltafsolid-423.3 ± 3.8kJ/molCcbBreitenbach and Derkosch, 1951Reanalyzed by Cox and Pilcher, 1970, Original value = -422.6 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3862.3 ± 0.9kJ/molCcbColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; Corresponding «DELTA»fsolid = -429.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-3862.3 ± 0.92kJ/molCcbCorral, 1960Different experiments; Corresponding «DELTA»fsolid = -429.15 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-3868.kJ/molCcbBreitenbach and Derkosch, 1951Corresponding «DELTA»fsolid = -423.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
169.0298.Andrews, Lynn, et al., 1926T = 22 to 225 C.; DH

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

C8H7O2- + Hydrogen cation = Benzoic acid, 4-methyl-

By formula: C8H7O2- + H+ = C8H8O2

Quantity Value Units Method Reference Comment
Deltar1427. ± 8.8kJ/molG+TSKebarle and McMahon, 1977gas phase
Deltar1425. ± 8.8kJ/molG+TSDecouzon, Exner, et al., 1996gas phase; relative to benzoate at 333.0 kcal/mol
Quantity Value Units Method Reference Comment
Deltar1397. ± 8.4kJ/molIMREKebarle and McMahon, 1977gas phase
Deltar1396. ± 8.4kJ/molIMREDecouzon, Exner, et al., 1996gas phase; relative to benzoate at 333.0 kcal/mol

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Colomina, Jimenez, et al., 1986
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Propiedades termoquimicas de derivados del acido benzoico. XIII. Presiones de vapor y entalpias de sublimacion y formacion de los acidos toluicos, An. Quim., 1986, 82, 126-130. [all data]

Colomina, Boned, et al., 1961
Colomina, M.; Boned, M.L.; Turrion, C., Investigaciones termoquimicas sobre los acidos alquilbenzoicos. I. Acidos toluicos, An. Fis. Quim., 1961, 57, 655-664. [all data]

Corral, 1960
Corral, L.B., Investigaciones termoquimicas sobre los acidos toluicos y dimetilbenzoicos, Rev. R. Acad. Cienc., 1960, 54, 365-403. [all data]

Breitenbach and Derkosch, 1951
Breitenbach, J.W.; Derkosch, J., Verbrennungswarmen von peroxyden und verwandten verbindungen sowie von polystrolen, Monatsh. Chem., 1951, 82, 177-179. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]

Decouzon, Exner, et al., 1996
Decouzon, M.; Exner, O.; Gal, J.-F.; Maria, P.-C., Non-classical Buttressing Effect: Gas-phase Ionization of Some Methyl Substituted Benzoic Acids, J. Chem. Soc. Perkin Trans., 1996, 2, 4, 475, https://doi.org/10.1039/p29960000475 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References