Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Thiophene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil357.3 ± 0.6KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus234.93KN/AGoates, Ott, et al., 1973Uncertainty assigned by TRC = 0.05 K; TRC
Tfus234.94KN/ATimmermans and Hennaut-Roland, 1959Uncertainty assigned by TRC = 0.1 K; TRC
Tfus233.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Ttriple235.02KN/AFiguiere, Szwarc, et al., 1985Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple234.900KN/AWaddington, Knowlton, et al., 1949Crystal phase 1 phase; Uncertainty assigned by TRC = 0.08 K; TRC
Ttriple234.95KN/AWaddington, Knowlton, et al., 1949Crystal phase 1 phase; Uncertainty assigned by TRC = 0.06 K; TRC
Ttriple233.7KN/AJacobs and Parks, 1934Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc579.4KN/AMajer and Svoboda, 1985 
Tc579.4KN/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 J.C.McCoubrey, A.R.Ubbelohde Trans. Faraday Soc. 1960,56,114; TRC
Tc580.KN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc56.25atmN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.6804 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.220l/molN/AKobe, Ravicz, et al., 1956Uncertainty assigned by TRC = 0.005 l/mol; TRC
Quantity Value Units Method Reference Comment
Deltavap8.315kcal/molN/AMajer and Svoboda, 1985 
Deltavap8.27kcal/molN/AReid, 1972AC
Deltavap8.29 ± 0.008kcal/molVHubbard, Scott, et al., 1955see Waddington, Knowlton, et al., 1949, 2; ALS
Deltavap8.46kcal/molN/AHubbard, Scott, et al., 1955DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.524357.3N/AMajer and Svoboda, 1985 
8.56282.N/ADykyj, Svoboda, et al., 1999Based on data from 267. - 381. K.; AC
8.32348.IEon, Pommier, et al., 1971Based on data from 333. - 373. K.; AC
8.15315.EBWhite, Barnard--Smith, et al., 1952Based on data from 300. - 366. K.; AC
8.05326.N/AWaddington, Knowlton, et al., 1949, 2Based on data from 311. - 393. K.; AC
8.03 ± 0.02319.CWaddington, Knowlton, et al., 1949, 2AC
7.82 ± 0.02336.CWaddington, Knowlton, et al., 1949, 2AC
7.53 ± 0.02357.CWaddington, Knowlton, et al., 1949, 2AC
7.79353.N/AFawcett and Rasmussen, 1945Based on data from 344. - 363. K.; AC
8.4270.N/AMilazzo, 1944Based on data from 228. - 289. K.; 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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
319. - 357.11.850.288579.4Majer and Svoboda, 1985 

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
333.4 - 373.55.061451790.319-2.805Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
312.21 - 392.944.067871239.578-52.585Waddington, Knowlton, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
11.2213.Stephenson and Malanowski, 1987Based on data from 195. - 228. K. See also Milazzo, 1956.; AC
12.203.Milazzo, 1944Based on data from 192. - 213. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.19235.2Domalski and Hearing, 1996See also Figuiere, Szwarc, et al., 1985, 2.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
90.76crystaline, V'crystaline, IV'Figuiere, Szwarc, et al., 1984Metastable transition.; DH
139.2crystaline, IV'crystaline, III'Figuiere, Szwarc, et al., 1984Metastable transition.; DH
112.35crystaline, Vcrystaline, IVFiguiere, Szwarc, et al., 1984DH
138.5crystaline, IVcrystaline, IIIFiguiere, Szwarc, et al., 1984DH
170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1984DH
175.03crystaline, IIcrystaline, IFiguiere, Szwarc, et al., 1984DH
235.03crystaline, IliquidFiguiere, Szwarc, et al., 1984DH
111.3crystaline, Vcrystaline, IVAndre, Dworkin, et al., 1982DH
136.8crystaline, IVcrystaline, IIIAndre, Dworkin, et al., 1982DH
170.5crystaline, IIIcrystaline, IIAndre, Dworkin, et al., 1982DH
174.5crystaline, IIcrystaline, IAndre, Dworkin, et al., 1982DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.10244. - 170.crystaline, Vcrystaline, IIIFiguiere, Szwarc, et al., 1985, 2DH
0.1935170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1985, 2DH
0.438837. - 216.crystaline, II'crystaline, IFiguiere, Szwarc, et al., 1985, 2DH
1.205235.02crystaline, IliquidFiguiere, Szwarc, et al., 1985, 2DH
0.1524171.6crystaline, IIcrystaline, IWaddington, Knowlton, et al., 1949, 2Anomalous heat capacity 100 to 150 K. Apparently two second order transitions at about 112, 138 K, with small energies involved.; DH
1.2156234.95crystaline, IliquidWaddington, Knowlton, et al., 1949, 2DH
0.2890171.1crystaline, IIcrystaline, IJacobs and Parks, 1934, 2DH
1.187233.7crystaline, IliquidJacobs and Parks, 1934, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.9644. - 170.crystaline, Vcrystaline, IIIFiguiere, Szwarc, et al., 1985, 2DH
1.13170.70crystaline, IIIcrystaline, IIFiguiere, Szwarc, et al., 1985, 2DH
3.5937. - 216.crystaline, II'crystaline, IFiguiere, Szwarc, et al., 1985, 2DH
5.122235.02crystaline, IliquidFiguiere, Szwarc, et al., 1985, 2DH
0.889171.6crystaline, IIcrystaline, IWaddington, Knowlton, et al., 1949, 2Anomalous; DH
5.174234.95crystaline, IliquidWaddington, Knowlton, et al., 1949, 2DH
1.7171.1crystaline, IIcrystaline, IJacobs and Parks, 1934, 2DH
5.09233.7crystaline, IliquidJacobs and Parks, 1934, 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.

Goates, Ott, et al., 1973
Goates, J.R.; Ott, J.B.; Reeder, J., Solid + liquid phae equilibria and solid compound formation in hexafluorobenzene + benzene, + pyridine, + furan, and + thiophen, J. Chem. Thermodyn., 1973, 5, 135. [all data]

Timmermans and Hennaut-Roland, 1959
Timmermans, J.; Hennaut-Roland, M., Work of the International Bureau of Physico-Chemical Properties physical constants of twenty organic compounds, J. Chim. Phys. Phys.-Chim. Biol., 1959, 56, 984-1023. [all data]

Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F., Freezing points of orgainic substances VI. New experimental determinations., Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]

Figuiere, Szwarc, et al., 1985
Figuiere, P.; Szwarc, H.; Oguni, M.; Suga, H., Calorimetric study of thiophene from 13 to 300 K. Emergence of two glassy crystalline states, J. Chem. Thermodyn., 1985, 17, 10, 949, https://doi.org/10.1016/0021-9614(85)90008-4 . [all data]

Waddington, Knowlton, et al., 1949
Waddington, G.; Knowlton, J.W.; Scott, D.W.; Oliver, G.D.; Todd, S.S.; Hubbard, W.N.; Smith, J.C.; Huffman, H.M., Thermodynamic Properties of Thiophene, J. Am. Chem. Soc., 1949, 71, 797. [all data]

Jacobs and Parks, 1934
Jacobs, C.J.; Parks, G.S., Thermal data on organic compounds. XIV. Some heat capacity, entropy and free energy data for cyclic substances, J. Am. Chem. Soc., 1934, 56, 1513-17. [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]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Hubbard, Scott, et al., 1955
Hubbard, W.N.; Scott, D.W.; Frow, F.R.; Waddington, G., Thiophene: Heat of combustion and chemical thermodynamic properties, J. Am. Chem. Soc., 1955, 77, 5855-58. [all data]

Waddington, Knowlton, et al., 1949, 2
Waddington, G.; Knowlton, J.W.; Scott, D.W.; Oliver, G.D.; Todd, S.S.; Hubbard, W.N.; Smith, J.C.; Huffman, H.M., Thermodynamic propertie of thiophene, J. Am. Chem. Soc., 1949, 71, 797-808. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [all data]

White, Barnard--Smith, et al., 1952
White, P.T.; Barnard--Smith, D.G.; Fidler, F.A., Vapor Pressure--Temperature Relationships of Sulfur Compounds Related to Petroleum, Ind. Eng. Chem., 1952, 44, 6, 1430-1438, https://doi.org/10.1021/ie50510a064 . [all data]

Fawcett and Rasmussen, 1945
Fawcett, Frank S.; Rasmussen, Herbert E., Physical Properties of Thiophene 1, J. Am. Chem. Soc., 1945, 67, 10, 1705-1709, https://doi.org/10.1021/ja01226a026 . [all data]

Milazzo, 1944
Milazzo, G., Gazz. Chim. Ital., 1944, 74, 58. [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]

Milazzo, 1956
Milazzo, G., Ann. Chim. (Rome), 1956, 46, 1105. [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]

Figuiere, Szwarc, et al., 1985, 2
Figuiere, P.; Szwarc, H.; Oguni, M.; Suga, H., Calorimetric study of thiophene from 13 to 300 K. Emergence of two glassy crystalline states, J. Chem. Thermodynam., 1985, 17, 949-966. [all data]

Figuiere, Szwarc, et al., 1984
Figuiere, P.; Szwarc, H.; Oguni, M.; Suga, H., Crystalline thiophene - calorimetric evidence for a glassy crystalline state in both phase sequences, J. Phys., Lett., 1984, 45(24), L1167-L1173. [all data]

Andre, Dworkin, et al., 1982
Andre, D.; Dworkin, A.; Figuiere, P.; Fuchs, A.H.; Szwarc, H., Heat capacity of stable and metastable phases of crystalline thiophene, C. R. Seances Acad. Sci., Ser. 2, 1982, 295, 145-147. [all data]

Jacobs and Parks, 1934, 2
Jacobs, C.J.; Parks, G.S., Thermal data on organic compounds. XIV. Some heat capacity, entropy and free energy data for cyclic substances, J. Am. Chem. Soc., 1934, 56, 1513-1517. [all data]


Notes

Go To: Top, Phase change data, References