Tetrahydrofuran

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-44.03 ± 0.17kcal/molCmPell and Pilcher, 1965ALS
Quantity Value Units Method Reference Comment
Δcgas-605.44 ± 0.16kcal/molCmPell and Pilcher, 1965Corresponding Δfgas = -44.02 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas72.11 ± 0.41cal/mol*KN/AClegg G.A., 1968Other third-law entropy values at 298.15 K evaluated from calorimetric data are 299.1 J/mol*K [ Chao J., 1986] and 288(1) J/mol*K [ Lebedev B.V., 1978].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.15950.Dorofeeva O.V., 1992p=1 bar. Selected thermodynamic functions agree well with results of other statistical calculations [ Scott D.W., 1970, Chao J., 1986].; GT
9.641100.
10.67150.
12.46200.
16.61273.15
18.32 ± 0.24298.15
18.45300.
25.590400.
32.130500.
37.639600.
42.225700.
46.071800.
49.321900.
52.0841000.
54.4411100.
56.4581200.
58.1911300.
59.6821400.
60.9731500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
20.35 ± 0.041328.15Hossenlopp I.A., 1981GT
21.84 ± 0.043349.15
25.363 ± 0.050399.15
28.774 ± 0.057449.15
31.950 ± 0.065500.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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
Δcliquid-598.90 ± 0.50kcal/molCcbCass, Fletcher, et al., 1958Reanalyzed by Cox and Pilcher, 1970, Original value = -598.8 ± 0.5 kcal/mol; Corresponding Δfliquid = -50.56 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-597.80 ± 0.20kcal/molCcbSkuratov, Strepikheev, et al., 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -598.0 ± 0.1 kcal/mol; Combustion at 293 K; Corresponding Δfliquid = -51.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid48.71cal/mol*KN/ALebedev, Lityagov, et al., 1979DH
liquid48.73cal/mol*KN/ALebedev, Rabinovich, et al., 1978DH
liquid48.73cal/mol*KN/ALebedev and Lityagov, 1977DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
29.66298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
29.66298.15Costas and Patterson, 1985, 2DH
29.379298.15Inglese, Castagnolo, et al., 1981DH
29.532298.15Kiyohara, D'Arcy, et al., 1979DH
29.61298.15Lebedev, Rabinovich, et al., 1978T = 8 to 322 K.; DH
29.61298.15Lebedev and Lityagov, 1977T = 5 to 400 K.; DH
28.7298.15Bonner and Cerutti, 1976DH
28.80298.Conti, Gianni, et al., 1976DH

Phase change 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
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

Quantity Value Units Method Reference Comment
Tboil339. ± 1.KAVGN/AAverage of 16 out of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus165.1KN/AHayduk, Laudie, et al., 1973Uncertainty assigned by TRC = 0.5 K; TRC
Tfus164.15KN/ABrooks and Pilcher, 1959Uncertainty assigned by TRC = 1. K; TRC
Tfus164.63KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus164.05KN/ADolliver, Gresham, et al., 1938Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple164.76KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple164.76KN/ALebedev, Lityagov, et al., 1979Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple164.76KN/ALebedev, Rabinovich, et al., 1978, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc540.2KN/AMajer and Svoboda, 1985 
Tc540.1KN/ACheng, McCoubrey, et al., 1962Uncertainty assigned by TRC = 0.3 K; Visual (5-cm 2-mm bore tubes) in nitrate-nitrite bath, TE or TH cal. vs NPL thermometer.; TRC
Tc541.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Pc51.22atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.5000 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.225l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap7.686kcal/molN/AMajer and Svoboda, 1985 
Δvap7.6kcal/molCHossenlopp and Scott, 1981AC
Δvap7.86kcal/molN/AMoiseev and Antonova, 1970Based on data from 224. to 360. K.; AC
Δvap7.6kcal/molVCass, Fletcher, et al., 1958ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.125339.1N/AMajer and Svoboda, 1985 
7.72305.N/ALoras, Aucejo, et al., 2001Based on data from 290. to 339. K.; AC
7.91288.AStephenson and Malanowski, 1987Based on data from 273. to 339. K.; AC
6.9414.AStephenson and Malanowski, 1987Based on data from 399. to 479. K.; AC
7.07482.AStephenson and Malanowski, 1987Based on data from 467. to 541. K.; AC
7.77 ± 0.05288.N/ABorisov and Chugunova, 1976Based on data from 235. to 340. K.; AC
7.36320.N/ARivenq, 1975Based on data from 302. to 339. K.; AC
7.84288.N/AKoizumi and Ouchi, 1970Based on data from 273. to 308. K. See also Boublik, Fried, et al., 1984.; AC
7.62311.N/AScott D.W., 1970Based on data from 296. to 373. K. See also Boublik, Fried, et al., 1984.; AC
7.8293.VSkuratov, Strepikheev, et al., 1957Combustion at 293 K; ALS
7.60313.N/AKlages and Möhler, 1948Based on data from 293. to 313. K. See also Cass, Fletcher, et al., 1958, 2.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
302. to 339.11.020.2699540.2Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
296.29 to 372.84.115471202.942-46.818Scott D.W., 1970Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.041164.76Lebedev, Rabinovich, et al., 1978DH
2.041164.76Lebedev and Lityagov, 1977DH
2.04164.8Acree, 1991AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.4164.76Lebedev, Rabinovich, et al., 1978DH
12.39164.76Lebedev and Lityagov, 1977DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.041164.76crystaline, IliquidLebedev, Lityagov, et al., 1979DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
12.39164.76crystaline, IliquidLebedev, Lityagov, et al., 1979DH

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

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

Pell and Pilcher, 1965
Pell, A.S.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 3.-Ethylene oxide, trimethylene oxide, tetrahydrofuran and tetrahydropy, Trans. Faraday Soc., 1965, 61, 71-77. [all data]

Clegg G.A., 1968
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. II. The heat capacity, entropy, enthalpy and free energy of polytetrahydrofuran, Polymer, 1968, 9, 501-511. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Lebedev B.V., 1978
Lebedev B.V., Thermodynamic properties of tetrahydrofuran from 8 to 322 K, J. Chem. Thermodyn., 1978, 10, 321-329. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Scott D.W., 1970
Scott D.W., Tetrahydrofuran: vibrational assignment, chemical thermodynamic properties, and vapor pressure, J. Chem. Thermodyn., 1970, 2, 833-837. [all data]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., Heats of combustion and molecular structure. Part V. The mean bond energy term for the C-O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406-1410. [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]

Skuratov, Strepikheev, et al., 1957
Skuratov, S.M.; Strepikheev, A.A.; Kozina, M.P., About the reaction activity of five and six-membered heterocyclic compounds, Dokl. Akad. Nauk SSSR, 1957, 117, 452-454. [all data]

Lebedev, Lityagov, et al., 1979
Lebedev, B.V.; Lityagov, V.Ya.; Krentsina, T.I.; Milov, V.I., Thermodynamic properties of tetrahydrofuran in the range 8-322 K, Zhur. Fiz. Khim., 1979, 53, 264-265. [all data]

Lebedev, Rabinovich, et al., 1978
Lebedev, B.V.; Rabinovich, I.B.; Milov, V.I.; Lityagov, V.Ya., Thermodynamic properties of tetrahydrofuran from 8 to 322 K, J. Chem. Thermodyn., 1978, 10, 321-329. [all data]

Lebedev and Lityagov, 1977
Lebedev, B.V.; Lityagov, V.Ya., Calorimetric study of tetrahydrofuran and its polymerization in the temperature range 0-400°K, Vysokomol. Soedin., 1977, A19, 2283-2290. [all data]

Costas and Patterson, 1985
Costas, M.; Patterson, D., Heat capacities of water + organic-solvent mixtures, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 2381-2398. [all data]

Costas and Patterson, 1985, 2
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Inglese, Castagnolo, et al., 1981
Inglese, A.; Castagnolo, M.; Dell'Atti, A.; DeGiglio, A., Thermochim. Acta, 1981, 77-87. [all data]

Kiyohara, D'Arcy, et al., 1979
Kiyohara, O.; D'Arcy, P.J.; Benson, G.C., Ultrasonic velocities, compressibilities, and heat capacities of water + tetrahydrofuran mixtures at 298.15K, Can. J. Chem., 1979, 57, 1006-1010. [all data]

Bonner and Cerutti, 1976
Bonner, O.D.; Cerutti, P.J., The partial molar heat capacities of some solutes in water and deuterium oxide, J. Chem. Thermodynam., 1976, 8, 105-111. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Hayduk, Laudie, et al., 1973
Hayduk, W.; Laudie, H.; Smith, O.H., Viscosity, Freezing Point, Vapor-Liquid Equilibria, and Other Properties of Aqueous-Tetrahydrofuran Solutions, J. Chem. Eng. Data, 1973, 18, 373-6. [all data]

Brooks and Pilcher, 1959
Brooks, J.H.; Pilcher, G., A Simple Melting Point Calorimeter for Moderately Precise Determination of Purity, J. Chem. Soc., 1959, 1959, 1535. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of Organic Reactions VI. Heats of Hydrogenation of Some Oxygen- Containing Compounds, J. Am. Chem. Soc., 1938, 60, 440. [all data]

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]

Lebedev, Rabinovich, et al., 1978, 2
Lebedev, B.V.; Rabinovich, I.B.; Milov, V.I.; Sladkov, A.M., Thermodynamic properties of tetrahydrofuran from 8 to 322 k polyaddition products with the bis-ethinyl derivatives of the same metals, J. Chem. Thermodyn., 1978, 10, 321-9. [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]

Cheng, McCoubrey, et al., 1962
Cheng, D.C.H.; McCoubrey, J.C.; Phillips, D.G., Critical Temperatures of Some Organic Cyclic Compounds, Trans. Faraday Soc., 1962, 58, 224. [all data]

Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P., Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds, J. Chem. Eng. Data, 1956, 1, 50. [all data]

Hossenlopp and Scott, 1981
Hossenlopp, I.A.; Scott, D.W., Vapor heat capacities and enthalpies of vaporizaiton of six organic compounds, J. Chem. Thermodyn., 1981, 13, 405-414. [all data]

Moiseev and Antonova, 1970
Moiseev, V.D.; Antonova, N.D., Zh. Fiz. Khim., 1970, 44, 11, 2912. [all data]

Loras, Aucejo, et al., 2001
Loras, Sonia; Aucejo, Antonio; Montón, Juan B.; Wisniak, Jaime; Segura, Hugo, Polyazeotropic Behavior in the Binary System 1,1,1,2,3,4,4,5,5,5-Decafluoropentane + Oxolane, J. Chem. Eng. Data, 2001, 46, 6, 1351-1356, https://doi.org/10.1021/je0100793 . [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]

Borisov and Chugunova, 1976
Borisov, G.K.; Chugunova, S.G., Russ. J. Phys. Chem., 1976, 50, 1791. [all data]

Rivenq, 1975
Rivenq, F., Bull. Soc. Chim. Fr., 1975, 1, 2433. [all data]

Koizumi and Ouchi, 1970
Koizumi, E.; Ouchi, S., Nippon Kagaku Kaishi, 1970, 91, 5, 501. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Klages and Möhler, 1948
Klages, Friedrich; Möhler, Klement, Über das anomale osmotische Verhalten von Kettenmolekülen, VI. Mitteil.: Bestimmung der Dampfdruckerniedrigung von Polydepsiden, Chem. Ber., 1948, 81, 5, 411-417, https://doi.org/10.1002/cber.19480810512 . [all data]

Cass, Fletcher, et al., 1958, 2
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., 281. Heats of combustion and molecular structure. Part V. The mean bond energy term for the C?O bond in ethers, and the structures of some cyclic ethers, J. Chem. Soc., 1958, 1406, https://doi.org/10.1039/jr9580001406 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References