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Benzoic acid, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil472.4 ± 0.8KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus260.8KN/ABuckingham and Donaghy, 1982BS
Tfus260.7KN/ADozen, Fujishima, et al., 1978Uncertainty assigned by TRC = 0.2 K; TRC
Tfus260.8KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus260.94KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Tfus260.75KN/ATimmermans and Hennaut-Roland, 1935Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap52. ± 9.kJ/molAVGN/AAverage of 9 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
370.20.032Weast and Grasselli, 1989BS
369. - 371.0.032Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
51.1 ± 0.2360.EBSteele, Chirico, et al., 2002Based on data from 358. - 517. K.; AC
48.5 ± 0.2400.EBSteele, Chirico, et al., 2002Based on data from 358. - 517. K.; AC
45.8 ± 0.2440.EBSteele, Chirico, et al., 2002Based on data from 358. - 517. K.; AC
43.0 ± 0.4480.EBSteele, Chirico, et al., 2002Based on data from 358. - 517. K.; AC
57.2 ± 0.1303.CMaksimuk, Kabo, et al., 1998AC
50.7379.BGKatayama, 1988Based on data from 334. - 428. K.; AC
48.3410.BGKatayama, 1988Based on data from 334. - 428. K.; AC
49.7388.AStephenson and Malanowski, 1987Based on data from 373. - 533. K.; AC
52.8363.BGBaldt and Hall, 1971Based on data from 341. - 433. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
384.03 - 472.31.95374474.908-232.81Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
14.8260.8ACBlokhin, Paulechka, et al., 2002Based on data from 5. - 320. K.; AC
14.83260.8N/AMaksimuk, Kabo, et al., 1998AC
13.9261.N/ADozen, Fujishima, et al., 1978, 2AC

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:


References

Go To: Top, Phase change data, Notes

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

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Dozen, Fujishima, et al., 1978
Dozen, Y.; Fujishima, S.; Shingu, H., Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochim. Acta, 1978, 25, 2, 209, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Timmermans and Hennaut-Roland, 1935
Timmermans, J.; Hennaut-Roland, M., Physical constants of 20 organic compounds. VII. Supplement, J. Chim. Phys. Phys.-Chim. Biol., 1935, 32, 589. [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]

Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Methyl Benzoate, Ethyl Benzoate, ( R )-(+)-Limonene, tert -Amyl Methyl Ether, trans -Crotonaldehyde, and Diethylene Glycol, J. Chem. Eng. Data, 2002, 47, 4, 667-688, https://doi.org/10.1021/je0100847 . [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]

Katayama, 1988
Katayama, Hirotake, Vapor pressures of methyl, ethyl, n-propyl, isobutyl, and n-butyl benzoates at reduced pressures, J. Chem. Eng. Data, 1988, 33, 2, 75-77, https://doi.org/10.1021/je00052a002 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Baldt and Hall, 1971
Baldt, J.H.; Hall, H.K.K., Jr., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [all data]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [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]

Dozen, Fujishima, et al., 1978, 2
Dozen, Yasuhiko; Fujishima, Shizu; Shingu, Haruo, Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochimica Acta, 1978, 25, 2, 209-216, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]


Notes

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