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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 329.3 ± 0.3 | K | AVG | N/A | Average of 117 out of 129 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 178.7 ± 0.9 | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.5 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.3 K; TRC |
Ttriple | 176.6 | K | N/A | Kelley, 1929 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; deduced from appearance of a small maximum in heat capacity; TRC |
Ttriple | 177.6 | K | N/A | Parks and Kelley, 1928 | Uncertainty assigned by TRC = 0.3 K; TRC |
Ttriple | 177.6 | K | N/A | Parks and Kelley, 1925 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 508. ± 2. | K | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 48. ± 4. | bar | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.63 | mol/l | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 4.03 | mol/l | N/A | Campbell and Chatterjee, 1968 | Uncertainty assigned by TRC = 0.026 mol/l; TRC |
ρc | 4.79 | mol/l | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.17 mol/l; TRC |
ρc | 4.70 | mol/l | N/A | Rosenbaum, 1951 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 4.34 | mol/l | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 31.27 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 31.3 | kJ/mol | N/A | Ambrose, Ellender, et al., 1975 | AC |
ΔvapH° | 29.7 ± 0.004 | kJ/mol | V | Mathews, 1926 | ALS |
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
329.3 | 0.027 | Buckingham and Donaghy, 1982 | BS |
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.1 | 329.3 | N/A | Majer and Svoboda, 1985 | |
32.1 | 308. | N/A | Soni, Ramjugernath, et al., 2008 | Based on data from 298. to 318. K.; AC |
29.9 | 344. | A | Stephenson and Malanowski, 1987 | Based on data from 329. to 488. K.; AC |
32.9 | 228. | A | Stephenson and Malanowski, 1987 | Based on data from 178. to 243. K.; AC |
33.8 | 254. | A | Stephenson and Malanowski, 1987 | Based on data from 203. to 269. K.; AC |
30.6 | 338. | A | Stephenson and Malanowski, 1987 | Based on data from 323. to 379. K.; AC |
29.5 | 389. | A | Stephenson and Malanowski, 1987 | Based on data from 374. to 464. K.; AC |
29.7 | 472. | A | Stephenson and Malanowski, 1987 | Based on data from 457. to 508. K.; AC |
32.8 | 274. | A | Stephenson and Malanowski, 1987 | Based on data from 259. to 351. K. See also Ambrose, Sprake, et al., 1974 and Ambrose, Ellender, et al., 1975.; AC |
32.7 | 276. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 261. to 328. K. See also Boublík and Aim, 1972.; AC |
31.9 | 300. | EB | Baliah and Gnanasekaran, 1986 | Based on data from 285. to 329. K.; AC |
26.1 | 373. | C | Dmitriev, Kachurina, et al., 1986 | AC |
21.7 | 423. | C | Dmitriev, Kachurina, et al., 1986 | AC |
15.3 | 473. | C | Dmitriev, Kachurina, et al., 1986 | AC |
9.2 | 498. | C | Dmitriev, Kachurina, et al., 1986 | AC |
31.8 | 319. | N/A | Castellari, Francesconi, et al., 1984 | Based on data from 305. to 333. K.; AC |
32.6 | 285. | N/A | Sokolov, Zhilina, et al., 1963 | Based on data from 278. to 293. K.; AC |
31.1 | 319. | N/A | Brown and Smith, 1957 | Based on data from 310. to 329. K.; AC |
29.09 | 338. | C | Pennington and Kobe, 1957 | ALS |
35. | 253. | MG | Felsing and Durban, 1926 | Based on data from 204. to 339. K.; AC |
32.1 | 293. | MG | Felsing and Durban, 1926 | Based on data from 204. to 339. K.; AC |
30.7 | 313. | MG | Felsing and Durban, 1926 | Based on data from 204. to 339. K.; AC |
ΔvapH = A exp(-βTr) (1 − Tr) β
ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
300. to 345. | 46.95 | 0.2826 | 508.2 | Majer and Svoboda, 1985 |
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
259.16 to 507.60 | 4.42448 | 1312.253 | -32.445 | Ambrose, Sprake, et al., 1974 | Coefficents calculated by NIST from author's data. |
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.715 | 176.62 | Kelley, 1929, 2 | DH |
5.72 | 176.6 | Domalski and Hearing, 1996 | AC |
5.690 | 177.6 | Parks and Kelley, 1928, 2 | DH |
4.770 | 178.5 | Maass and Walbauer, 1925 | DH |
5.690 | 177.6 | Parks and Kelley, 1925, 2 | DH |
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.36 | 176.62 | Kelley, 1929, 2 | DH |
32.0 | 177.6 | Parks and Kelley, 1928, 2 | DH |
26.7 | 178.5 | Maass and Walbauer, 1925 | DH |
32.03 | 177.6 | Parks and Kelley, 1925, 2 | DH |
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:
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]
Kelley, 1929
Kelley, K.K., The heat capacities of isopropyl alcohol and acetone from 16 to 298 K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 1145-51. [all data]
Parks and Kelley, 1928
Parks, G.S.; Kelley, K.K., The application of the third law of thermodynamics to some organic reactions, J. Phys. Chem., 1928, 32, 734-50. [all data]
Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K., Thermal Data on Organic Compounds II. The Heat Capacities of Five Organic Compounds. The Entropies and Free Energies of Some Homologous Series of Aliphatic Compounds, J. Am. Chem. Soc., 1925, 47, 2089-97. [all data]
Campbell and Chatterjee, 1969
Campbell, A.N.; Chatterjee, R.M., The critical constants and orthobaric densities of acetone, chloroform benzene, and carbon tetrachloride, Can. J. Chem., 1969, 47, 3893-8. [all data]
Campbell and Chatterjee, 1968
Campbell, A.N.; Chatterjee, R.M., Orthobaric Data of Certain Pure Liquids in the Neighborhood of the Critical Point, Can. J. Chem., 1968, 46, 575-81. [all data]
Kobe, Crawford, et al., 1955
Kobe, K.A.; Crawford, H.R.; Stephenson, R.W., Critical Properties and Vapor Pressures of Some Ketones, Ind. Eng. Chem., 1955, 47, 1767-72. [all data]
Herz and Neukirch, 1923
Herz, W.; Neukirch, E., On Knowldge of the Critical State, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones, The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X . [all data]
Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [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]
Soni, Ramjugernath, et al., 2008
Soni, Minal; Ramjugernath, Deresh; Raal, J. David, Vapor--Liquid Equilibrium for Binary Systems of 2,3-Pentanedione with Diacetyl and Acetone, J. Chem. Eng. Data, 2008, 53, 3, 745-749, https://doi.org/10.1021/je7005924 . [all data]
Ambrose, Sprake, et al., 1974
Ambrose, D.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXXIII. The vapour pressure of acetone, The Journal of Chemical Thermodynamics, 1974, 6, 7, 693-700, https://doi.org/10.1016/0021-9614(74)90119-0 . [all data]
Boublík and Aim, 1972
Boublík, T.; Aim, K., Heats of vaporization of simple non-spherical molecule compounds, Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513 . [all data]
Baliah and Gnanasekaran, 1986
Baliah, V.; Gnanasekaran, K., Search for hydrogen bonding in thiophenols through heats of vaporization measurements, Indian J. Chem., Sect A, 1986, 25, 7, 673. [all data]
Dmitriev, Kachurina, et al., 1986
Dmitriev, Yu.G.; Kachurina, N.S.; Wang, C.H.; Kochubei, V.V., Thermochemical properties of complex glycidol esters, Vestn. L'vov. Politekh. Inst., 1986, 201, 29. [all data]
Castellari, Francesconi, et al., 1984
Castellari, Carlo; Francesconi, Romolo; Comelli, Fabio; Ottani, Stefano, Vapor-liquid equilibria in binary systems containing 1,3-dioxolane at isobaric conditions. 6. Binary mixtures of 1,3-dioxolane with acetone, J. Chem. Eng. Data, 1984, 29, 3, 283-284, https://doi.org/10.1021/je00037a016 . [all data]
Sokolov, Zhilina, et al., 1963
Sokolov, V.V.; Zhilina, L.P.; Mischenko, K.P., Zh. Prikl. Khim. (Leningrad), 1963, 36, 750. [all data]
Brown and Smith, 1957
Brown, I.; Smith, F., Liquid-vapour equilibria viii. The systems acetoke +benzene and acetone +carbon tetrachloride at 45«65533»C, Aust. J. Chem., 1957, 10, 4, 423-621, https://doi.org/10.1071/CH9570423 . [all data]
Pennington and Kobe, 1957
Pennington, R.E.; Kobe, K.A., The thermodynamic properties of acetone, J. Am. Chem. Soc., 1957, 79, 300-305. [all data]
Felsing and Durban, 1926
Felsing, W.A.; Durban, S.A., THE VAPOR PRESSURES, DENSITIES, AND SOME DERIVED QUANTITIES FOR ACETONE, J. Am. Chem. Soc., 1926, 48, 11, 2885-2893, https://doi.org/10.1021/ja01690a020 . [all data]
Kelley, 1929, 2
Kelley, K.K., The heats capacities of isopropyl alcohol and acetone from 16 to 298 °K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 1145-1150. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]
Parks and Kelley, 1928, 2
Parks, G.S.; Kelley, K.K., The application of the third law of thermodynamics to some organic reactions, J. Phys. Chem., 1928, 32, 734-750. [all data]
Maass and Walbauer, 1925
Maass, O.; Walbauer, L.J., The specific heats and latent heats of fusion of ice and of several organic compounds, J. Am. Chem. Soc., 1925, 47, 1-9. [all data]
Parks and Kelley, 1925, 2
Parks, G.S.; Kelley, K.K., Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds, J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]
Pc | Critical pressure |
Tboil | Boiling point |
Tc | Critical temperature |
Tfus | Fusion (melting) point |
Ttriple | Triple point temperature |
ΔfusH | Enthalpy of fusion |
ΔfusS | Entropy of fusion |
ΔvapH | Enthalpy of vaporization |
ΔvapH° | Enthalpy of vaporization at standard conditions |
ρc | Critical density |
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