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Mesitylene

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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas385.30 ± 0.63J/mol*KN/ATaylor R.D., 1955 

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
104.3200.Draeger, 1985Discrepancies with other statistically calculated values of S(T) and Cp(T) amount to 1, 2, and 3 J/mol*K for [ Thermodynamics Research Center, 1997], [ Pitzer K.S., 1943], and [ Taylor W.J., 1946], respectively.
136.0273.15
147.4 ± 0.4298.15
148.3300.
193.7400.
234.6500.
269.2600.
298.2700.
322.7800.
343.5900.
361.21000.
376.41100.
389.51200.
400.71300.
410.41400.
418.81500.

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
Deltacliquid-5193.1 ± 1.3kJ/molCcbJohnson, Prosen, et al., 1945Corresponding «DELTA»fliquid = -63.43 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5202.7kJ/molCcbRichards and Barry, 1915At 291 K; Corresponding «DELTA»fliquid = -53.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid273.55J/mol*KN/ATaylor and Kilpatrick, 1955DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
207.85298.15Grolier, Roux-Desgranges, et al., 1993DH
205.5294.99Andolenko and Grigor'ev, 1979T = 295 to 424 K. Unsmoothed experimental datum given as 1.710 kJ/kg*K.; DH
207.66298.15Wilhelm, Faradjzadeh, et al., 1979DH
207.686298.15Fortier and Benson, 1977DH
206.5298.Recko, 1968T = 24 to 40°C. Equation only.; DH
201.46299.8Helfrey, Heiser, et al., 1955T = 80 to 220°F.; DH
209.33298.15Taylor and Kilpatrick, 1955T = 20 to 305 K.; DH
213.0298.Kurbatov, 1947T = 15 to 155°C, mean Cp, five temperatures.; DH
211.3298.von Reis, 1881T = 292 to 403 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
RCD - Robert C. Dunbar

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

C3H9Si+ + Mesitylene = (C3H9Si+ bullet Mesitylene)

By formula: C3H9Si+ + C9H12 = (C3H9Si+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar130.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)(C6H6), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar147.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)(C6H6), Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
61.1468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)(C6H6), Entropy change calculated or estimated; M

C3H9Sn+ + Mesitylene = (C3H9Sn+ bullet Mesitylene)

By formula: C3H9Sn+ + C9H12 = (C3H9Sn+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar134.kJ/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar133.J/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
64.0525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C9H13+ + Mesitylene = (C9H13+ bullet Mesitylene)

By formula: C9H13+ + C9H12 = (C9H13+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar51.9kJ/molPHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/AMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
20.272.PHPMSMeot-Ner (Mautner), 1980gas phase; Entropy change calculated or estimated; M

C11H10+ + Mesitylene = (C11H10+ bullet Mesitylene)

By formula: C11H10+ + C9H12 = (C11H10+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.2kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar124.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H7N+ + Mesitylene = (C6H7N+ bullet Mesitylene)

By formula: C6H7N+ + C9H12 = (C6H7N+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar64.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C9H12+ + Mesitylene = (C9H12+ bullet Mesitylene)

By formula: C9H12+ + C9H12 = (C9H12+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar130.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

Mesitylene + 3Hydrogen = Cyclohexane, 1,3,5-trimethyl-

By formula: C9H12 + 3H2 = C9H18

Quantity Value Units Method Reference Comment
Deltar-196.1 ± 0.84kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -199.2 ± 0.8 kJ/mol; At 355 °K; ALS

Chlorine anion + Mesitylene = (Chlorine anion bullet Mesitylene)

By formula: Cl- + C9H12 = (Cl- bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar18.8kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
19.300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

NH4+ + Mesitylene = (NH4+ bullet Mesitylene)

By formula: H4N+ + C9H12 = (H4N+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar91.2kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

2Mesitylene + 6Hydrogen = Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5β)- + Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5α)-

By formula: 2C9H12 + 6H2 = C9H18 + C9H18

Quantity Value Units Method Reference Comment
Deltar-198. ± 2.kJ/molEqkEgan and Buss, 1959gas phase; At 480-571 K; ALS

(Chromium ion (1+) bullet Mesitylene) + Mesitylene = (Chromium ion (1+) bullet 2Mesitylene)

By formula: (Cr+ bullet C9H12) + C9H12 = (Cr+ bullet 2C9H12)

Quantity Value Units Method Reference Comment
Deltar212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD

Chromium ion (1+) + Mesitylene = (Chromium ion (1+) bullet Mesitylene)

By formula: Cr+ + C9H12 = (Cr+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar193. ± 29.kJ/molRAKLin and Dunbar, 1997RCD

Calcium ion (1+) + Mesitylene = (Calcium ion (1+) bullet Mesitylene)

By formula: Ca+ + C9H12 = (Ca+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar135.kJ/molRAKGapeev and Dunbar, 2000RCD

Strontium ion (1+) + Mesitylene = (Strontium ion (1+) bullet Mesitylene)

By formula: Sr+ + C9H12 = (Sr+ bullet C9H12)

Quantity Value Units Method Reference Comment
Deltar116.kJ/molRAKGapeev and Dunbar, 2000RCD

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.

Taylor R.D., 1955
Taylor R.D., Entropy, heat capacity, and heats of transition of 1,3,5-trimethylbenzene, J. Chem. Phys., 1955, 23, 1232-1235. [all data]

Draeger, 1985
Draeger, J.A., The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation, J. Chem. Thermodyn., 1985, 17, 263-275. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Pitzer K.S., 1943
Pitzer K.S., The thermodynamics and molecular structure of benzene and its methyl derivatives, J. Am. Chem. Soc., 1943, 65, 803-829. [all data]

Taylor W.J., 1946
Taylor W.J., Heats, equilibrium constants, and free energies of formation of the alkylbenzenes, J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]

Johnson, Prosen, et al., 1945
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of the eight C9H12 alkylbenzenes, J. Res. NBS, 1945, 35, 141-146. [all data]

Richards and Barry, 1915
Richards, T.W.; Barry, F., The heats of combustion of aromatic hydrocarbons and hexamethylene, J. Am. Chem. Soc., 1915, 37, 993-1020. [all data]

Taylor and Kilpatrick, 1955
Taylor, R.D.; Kilpatrick, J.E., Entropy, heat capacity, heats of transition of 1,3,5-trimethylbenzene, J. Chem. Phys., 1955, 23, 1232-1235. [all data]

Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

Andolenko and Grigor'ev, 1979
Andolenko, R.A.; Grigor'ev, B.A., Investigation of isobaric heat capacity of aromatic hydrocarbons at atmospheric pressure, Iaz. Vyssh. Ucheb. Zaved., Neft i Gaz (11), 1979, 78, 90. [all data]

Wilhelm, Faradjzadeh, et al., 1979
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E., Molar excess heat capacities and excess volumes of 1,2-dichloroethane + cyclooctane, + mesitylene, and + tetrachloromethane, J. Chem. Thermodynam., 1979, 11, 979-984. [all data]

Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K, J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]

Recko, 1968
Recko, W.M., Excess heat capacity of the binary systems formed by n-propyl alcohol with benzene, mesitylene and cyclohexane, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1968, 16, 549-552. [all data]

Helfrey, Heiser, et al., 1955
Helfrey, P.F.; Heiser, D.A.; Sage, B.H., Isobaric heat capacities at bubble point, Two trimethylbenzenes and n-heptane, Ind. Eng. Chem., 1955, 44, 2385-2388. [all data]

Kurbatov, 1947
Kurbatov, V.Ya., Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons, Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Meot-Ner (Mautner), 1980
Meot-Ner (Mautner), M., Dimer Cations of Polycyclic Aromatics: Experimental Bonding Energies and Resonance Stabilization, J. Phys. Chem., 1980, 84, 21, 2724, https://doi.org/10.1021/j100458a012 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [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]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M., Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives, J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034 . [all data]

Egan and Buss, 1959
Egan, C.J.; Buss, W.C., Determination of the equilibrium constants for the hydrogenation of mesitylene. The thermodynamic properties of the 1,3,5-trimethylcyclohexanes, J. Phys. Chem., 1959, 63, 1887-1889. [all data]

Lin and Dunbar, 1997
Lin, C.-Y.; Dunbar, R.C., Radiative Association Kinetics and Binding Energies of Chromium Ions with Benzene and Benzene Derivatives, Organometallics, 1997, 16, 12, 2691, https://doi.org/10.1021/om960949n . [all data]

Gapeev and Dunbar, 2000
Gapeev, A.; Dunbar, R.C., Binding of Alkaline Earth Halide Ions MX+ to Benzene and Mesitylene, J. Am. Soc. Mass Spectrom., 2000, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2 . [all data]


Notes

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