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Benzoic acid

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Phase change data

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

Quantity Value Units Method Reference Comment
Tboil522.2KN/AWeast and Grasselli, 1989BS
Tboil522.KN/ABuckingham and Donaghy, 1982BS
Tboil523.18KN/ABurriel, 1931Uncertainty assigned by TRC = 0.2 K; TRC
Tboil523.59KN/ABurriel, 1931Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus395.2 ± 0.7KAVGN/AAverage of 18 out of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple395.52KN/AMarsh, 1987Uncertainty assigned by TRC = 0.005 K; recommended as calibration standard; TRC
Ttriple395.520KN/AAndon and Connett, 1980Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple395.52KN/AGinnings and Furukawa, 1953Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple395.52KN/AFurukawa, McCoskey, et al., 1951Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltavap78.9kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 353. - 393. K.; AC
Quantity Value Units Method Reference Comment
Deltasub90. ± 4.kJ/molAVGN/AAverage of 13 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
406.20.013Weast and Grasselli, 1989BS
406.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
87.450335.N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
63.3 ± 0.6401. - 416.N/APena, Ribet, et al., 2003AC
66.3420.AStephenson and Malanowski, 1987Based on data from 405. - 523. K.; AC
67.8368. - 428.GSMatsubara and Kuwamoto, 1985AC
65.4428.ICramer, 1943AC
67.7416.MM,AKlosky, Woo, et al., 1927Based on data from 401. - 520. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
261.0335.Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

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
369. - 522.44.478341771.357-127.484Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
89.230298.15N/ATorres-Gomez, Barreiro-Rodriguez, et al., 1988DH
90.9 ± 2.0340. - 410.TG-TSSelvakumar, Raghunathan, et al., 2009AC
90.0 ± 0.5307.MERibeiro da Silva, Monte, et al., 2006Based on data from 299. - 317. K.; AC
93. ± 4.294. - 331.MEGinkel, Kruif, et al., 2001AC
90.5 ± 0.3323. - 394.GSZielenkiewicz, Perlovich, et al., 1999AC
86.7313. - 343.TGAElder, 1997AC
88.7 ± 0.9311.MEDa Silva and Monte, 1990Based on data from 307. - 314. K.; AC
87.5 ± 0.3335.CTorres-Gomez, Barreiro-Rodriguez, et al., 1988AC
90.8 ± 0.6306.QRGlukhova, Arkhangelova, et al., 1985Based on data from 293. - 319. K.; AC
95.1 ± 1.8294.N/AKaisersberger, Hädrich, et al., 1985AC
87.8368. - 428.GSMatsubara and Kuwamoto, 1985AC
91. ± 2.293. - 313.MEColomina, Jimenez, et al., 1982AC
89.5 ± 0.05353.DMde Kruif and Blok, 1982Based on data from 316. - 391. K.; AC
89.1 ± 0.2320. - 370.CMurata, Sakiyama, et al., 1982AC
85. ± 2.369.SGSachinidis and Hill, 1980Based on data from 344. - 395. K.; AC
88.3 ± 2.9281. - 323.LENowak, Szczepaniak, et al., 1978AC
88.5 ± 1.6293. - 318.TEDeKruif, van Ginkel, et al., 1975AC
92.9 ± 0.2296.MEArshadi, 1974Based on data from 273. - 318. K.; AC
88.1 ± 0.2293. - 311.TCMde Kruif and Oonk, 1973AC
89.0 ± 0.4338. - 383.MEMalaspina, 1973AC
89.3 ± 0.4338. - 383.CMalaspina, 1973AC
90. ± 0.3293. - 308.MEColomina, Monzon, et al., 1972AC
86.6 ± 1.3290. - 315.ME,CWiedemann, 1972AC
89.1314.N/AAshcroft, 1971Based on data from 299. - 329. K.; AC
90.4 ± 0.8367.HSAMelia and Merrifield, 1970Based on data from 324. - 392. K.; AC
86.6 ± 1.7303.MEWiedemann and Waughna, 1970Based on data from 290. - 315. K. See also Zielenkiewicz, Perlovich, et al., 1999.; AC
88.9 ± 0.5363.GSMertl, 1968Based on data from 348. - 378. K.; AC
90.9299.MEDavies and Kybett, 1965Based on data from 291. - 307. K.; AC
84.2 ± 0.8318.TEWolf and Weghofer, 1938AC
84.1 ± 0.8318.VWolf and Weghofer, 1938, 2ALS
85.8383.THirsbrunner, 1934Based on data from 333. - 389. K.; AC
84.5 ± 0.5364.IKlosky, Woo, et al., 1927Based on data from 377. - 394. K.; AC

Entropy of sublimation

DeltasubS (J/mol*K) Temperature (K) Reference Comment
299.3298.15Torres-Gomez, Barreiro-Rodriguez, et al., 1988DH

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
18.006395.52N/AGinnings and Furukawa, 1953, 2DH
18.000395.52N/AFurukawa, McCoskey, et al., 1951, 2DH
16.99396.9DSCBrittain, 2009AC
17.3394.4DSCSharma, Kant, et al., 2003See also Sharma, Jamwal, et al., 2004.; AC
17.1395.4DSCRoy, Riga, et al., 2002AC
17.99395.5N/APitzer, Peiper, et al., 1984AC
16.230395.N/APacor, 1967DH
17.320395.0N/AAndrews, Lynn, et al., 1926DH
17.400395.N/ADavid, 1964Temperature not measured.; DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
45.52395.52Ginnings and Furukawa, 1953, 2DH
45.51395.52Furukawa, McCoskey, et al., 1951, 2DH
41.1395.Pacor, 1967DH
43.8395.0Andrews, Lynn, et al., 1926DH
44.395.David, 1964Temperature; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
18.062395.527crystaline, IliquidAndon and Connett, 1980, 2DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
45.67395.527crystaline, IliquidAndon and Connett, 1980, 2DH

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.

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]

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

Burriel, 1931
Burriel, F., Physico-Chemical Study of Some Solid Organic Compounds at Ordinary Temperatures, and Their COrrelationo with Temperature, An. R. Soc. Esp. Fis. Quim., 1931, 29, 89. [all data]

Marsh, 1987
Marsh, K.N., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [all data]

Andon and Connett, 1980
Andon, R.J.L.; Connett, J.E., Calibrants for thermal analysis. measurement of their enthalpies of fusion by adiabatic calorimetry., Thermochim. Acta, 1980, 42, 241. [all data]

Ginnings and Furukawa, 1953
Ginnings, D.C.; Furukawa, G.T., Heat Capacity Standards for the Range 14 to 1200 K, J. Am. Chem. Soc., 1953, 75, 522-7. [all data]

Furukawa, McCoskey, et al., 1951
Furukawa, G.T.; McCoskey, R.E.; King, G.J., Calorimetric properties of benzoic acid from 0 to 410 K, J. Res. Natl. Bur. Stand. (U. S.), 1951, 47, 256. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Torres-Gomez, Barreiro-Rodriguez, et al., 1988
Torres-Gomez, L.A.; Barreiro-Rodriguez, G.; Galarza-Mondragon, A., A new method for the measurement of enthalpies of sublimation using differential scanning calorimetry, Thermochim. Acta, 1988, 124, 229-233. [all data]

Pena, Ribet, et al., 2003
Pena, R.; Ribet, J.P.; Maurel, J.L.; Valat, L.; Lacoulonche, F.; Chauvet, A., Sublimation and vaporisation processes of S(-) efaroxan hydrochloride, Thermochimica Acta, 2003, 408, 1-2, 85-96, https://doi.org/10.1016/S0040-6031(03)00321-6 . [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]

Matsubara and Kuwamoto, 1985
Matsubara, Norio; Kuwamoto, Tooru, Vapor pressure measurements in carrier gas containing ligand vapor using the transpiration technique, Thermochimica Acta, 1985, 83, 2, 193-202, https://doi.org/10.1016/0040-6031(85)87003-9 . [all data]

Cramer, 1943
Cramer, K.S.N., Chem. Zentr. II, 1943, 2234. [all data]

Klosky, Woo, et al., 1927
Klosky, Simon; Woo, Leo P.L.; Flanigan, Robert J., THE VAPOR-PRESSURE CURVE OF BENZOIC ACID, J. Am. Chem. Soc., 1927, 49, 5, 1280-1284, https://doi.org/10.1021/ja01404a017 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Selvakumar, Raghunathan, et al., 2009
Selvakumar, Jayapragasam; Raghunathan, Vinjamoor Seshadri; Nagaraja, Karachalacheruvu Seetharamaiah, Vapor Pressure Measurements of Sc(tmhd) 3 and Synthesis of Stabilized Zirconia Thin Films by Hybrid CVD Technique Using Sc(tmhd) 3 , Zr(tmhd) 4 , and Al(acac) 3 [tmhd, 2,2,6,6-tetramethyl-3,5-heptanedione; acac, 2,4-pentanedione] as Precursors, J. Phys. Chem. C, 2009, 113, 44, 19011-19020, https://doi.org/10.1021/jp906204c . [all data]

Ribeiro da Silva, Monte, et al., 2006
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F., The design, construction, and testing of a new Knudsen effusion apparatus, The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013 . [all data]

Ginkel, Kruif, et al., 2001
Ginkel, C.H.D. van; Kruif, C.G. de; Waal, F.E.B. de, The need for temperature control in effusion experiments (and application to heat of sublimation determination), J. Phys. E: Sci. Instrum., 2001, 8, 6, 490-492, https://doi.org/10.1088/0022-3735/8/6/018 . [all data]

Zielenkiewicz, Perlovich, et al., 1999
Zielenkiewicz, X.; Perlovich, G.L.; Wszelaka-Rylik, M., Journal of Thermal Analysis and Calorimetry, 1999, 57, 1, 225-234, https://doi.org/10.1023/A:1010179814511 . [all data]

Elder, 1997
Elder, J.P., Sublimation measurements of pharmaceutical compounds by isothermal thermogravivletry, Journal of Thermal Analysis, 1997, 49, 2, 897-905, https://doi.org/10.1007/BF01996775 . [all data]

Da Silva and Monte, 1990
Da Silva, Manuel A.V. Ribeiro; Monte, Manuel J.S., The construction, testing and use of a new knudsen effusion apparatus, Thermochimica Acta, 1990, 171, 169-183, https://doi.org/10.1016/0040-6031(90)87017-7 . [all data]

Glukhova, Arkhangelova, et al., 1985
Glukhova, O.T.; Arkhangelova, N.M.; Teplitsky, A.B.; Sukhodub, L.F.; Yanson, I.K.; Kaminski, Miron, The low-temperature quartz resonator method for determination of the enthalpy of sublimation, Thermochimica Acta, 1985, 95, 1, 133-138, https://doi.org/10.1016/0040-6031(85)80041-1 . [all data]

Kaisersberger, Hädrich, et al., 1985
Kaisersberger, E.; Hädrich, W.; Emmerich, W.-D., Measurement of low vapour pressures according to the Knudsen effusion method, Thermochimica Acta, 1985, 95, 2, 331-336, https://doi.org/10.1016/0040-6031(85)85294-1 . [all data]

Colomina, Jimenez, et al., 1982
Colomina, M.; Jimenez, P.; Turrion, C., Vapour pressures and enthalpies of sublimation of naphthalene and benzoic acid, J. Chem. Thermodyn., 1982, 14, 779-784. [all data]

de Kruif and Blok, 1982
de Kruif, C.G.; Blok, J.G., The vapour pressure of benzoic acid, The Journal of Chemical Thermodynamics, 1982, 14, 3, 201-206, https://doi.org/10.1016/0021-9614(82)90011-8 . [all data]

Murata, Sakiyama, et al., 1982
Murata, S.; Sakiyama, M.; Seki, S., Construction and testing of a sublimation calorimetric system using a Calvet microcalorimeter, The Journal of Chemical Thermodynamics, 1982, 14, 8, 707-721, https://doi.org/10.1016/0021-9614(82)90167-7 . [all data]

Sachinidis and Hill, 1980
Sachinidis, J.; Hill, J.O., A re-evaluation of the enthalpy of sublimation of some metal acetylacetonate complexes, Thermochimica Acta, 1980, 35, 1, 59-66, https://doi.org/10.1016/0040-6031(80)85021-0 . [all data]

Nowak, Szczepaniak, et al., 1978
Nowak, M.J.; Szczepaniak, K.; Barski, A.; Shugar, D.Z., Z. Naturforsch. C, 1978, 33C, 876. [all data]

DeKruif, van Ginkel, et al., 1975
DeKruif, C.G.; van Ginkel, C.H.D.; Voogd, J., Torsion-effusion vapour pressure measurements of organic compounds, Conf. Int. Thermodyn. Chim. C. R. 4th, 1975, 8, 11-18. [all data]

Arshadi, 1974
Arshadi, Mohammed R., Determination of heats of sublimation of organic compounds by a mass spectrometric--knudsen effusion method, J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1569, https://doi.org/10.1039/f19747001569 . [all data]

de Kruif and Oonk, 1973
de Kruif, C.G.; Oonk, H.A.J., The determination of enthalpies of sublimation by means of thermal conductivity manometers, Chemie Ing. Techn., 1973, 45, 7, 455-461, https://doi.org/10.1002/cite.330450705 . [all data]

Malaspina, 1973
Malaspina, L., Microcalorimetric determination of the enthalpy of sublimation of benzoic acid and anthracene, J. Chem. Phys., 1973, 59, 1, 387, https://doi.org/10.1063/1.1679817 . [all data]

Colomina, Monzon, et al., 1972
Colomina, M.; Monzon, C.; Turrion, C.; Laynez, J., , Fifth Experimental Thermodynamics Conference, Lancaster, 1972. [all data]

Wiedemann, 1972
Wiedemann, H.G., Applications of thermogravimetry for vapor pressure determination, Thermochim. Acta, 1972, 355-366. [all data]

Ashcroft, 1971
Ashcroft, S.J., The measurement of enthalpies of sublimation by thermogravimetry, Thermochimica Acta, 1971, 2, 6, 512-514, https://doi.org/10.1016/0040-6031(71)80021-7 . [all data]

Melia and Merrifield, 1970
Melia, T.P.; Merrifield, R., Vapour pressures of the tris(acetylacetonato) complexes of scandium(III), vanadium(III) and chromium(III), Journal of Inorganic and Nuclear Chemistry, 1970, 32, 5, 1489-1493, https://doi.org/10.1016/0022-1902(70)80636-4 . [all data]

Wiedemann and Waughna, 1970
Wiedemann, A.G.; Waughna, H.P., , Proceedings of the Third Toronto Symposium on Thermal Analysis, Toronto, 1970, 233. [all data]

Mertl, 1968
Mertl, I., Chem. Listy, 1968, 62, 5, 584. [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.Z., Z. Phys. Chem. Abt. B, 1938, 39, 194. [all data]

Wolf and Weghofer, 1938, 2
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

Hirsbrunner, 1934
Hirsbrunner, H., Uber das gleichgewicht der thermischen dissoziation der salicylsaure, Helv. Chim. Acta, 1934, 17, 477-504. [all data]

Ginnings and Furukawa, 1953, 2
Ginnings, D.C.; Furukawa, G.T., Heat capacity standards for the range 14 to 1200°K, J. Am. Chem. Soc., 1953, 75, 522-527. [all data]

Furukawa, McCoskey, et al., 1951, 2
Furukawa, G.T.; McCoskey, R.E.; King, G.J., Calorimetric properties of benzoic acid from 0 to 410K, J. Res., 1951, NBS 47, 256-261. [all data]

Brittain, 2009
Brittain, Harry G., Vibrational Spectroscopic Studies of Cocrystals and Salts. 2. The Benzylamine-Benzoic Acid System, Crystal Growth & Design, 2009, 9, 8, 3497-3503, https://doi.org/10.1021/cg9001972 . [all data]

Sharma, Kant, et al., 2003
Sharma, B.L.; Kant, Rajesh; Sharma, Ritu; Tandon, Sonika, Deviations of binary organic eutectic melt systems, Materials Chemistry and Physics, 2003, 82, 1, 216-224, https://doi.org/10.1016/S0254-0584(03)00199-8 . [all data]

Sharma, Jamwal, et al., 2004
Sharma, B.L.; Jamwal, R.; Kant, R., Thermodynamic and lamella models relationship for the eutectic system benzoic acid-- cinnamic acid, Cryst. Res. Technol., 2004, 39, 5, 454-464, https://doi.org/10.1002/crat.200310210 . [all data]

Roy, Riga, et al., 2002
Roy, S.; Riga, A.T.; Alexander, K.S., Experimental design aids the development of a differential scanning calorimetry standard test procedure for pharmaceuticals, Thermochimica Acta, 2002, 392-393, 399-404, https://doi.org/10.1016/S0040-6031(02)00317-9 . [all data]

Pitzer, Peiper, et al., 1984
Pitzer, Kenneth S.; Peiper, J. Christopher; Busey, R.H., Thermodynamic Properties of Aqueous Sodium Chloride Solutions, J. Phys. Chem. Ref. Data, 1984, 13, 1, 1, https://doi.org/10.1063/1.555709 . [all data]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [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]

David, 1964
David, D.J., Determination of specific heat and heat of fusion by differential thermal analysis. Study of theory and operating parameters, Anal. Chem., 1964, 36, 2162-2166. [all data]

Andon and Connett, 1980, 2
Andon, R.J.L.; Connett, J.E., Calibrants for thermal analysis. Measurement of their enthalpies of fusion by adiabatic calorimetry, Thermochim. Acta, 1980, 42, 241-247. [all data]


Notes

Go To: Top, Phase change data, References