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Thiophene, tetrahydro-, 1,1-dioxide

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Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil558.KN/ALee, 1986Uncertainty assigned by TRC = 3. K; TRC
Tboil561.2KN/ATripathi, RajaRam, et al., 1975Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus301.0KN/ALee, 1986Uncertainty assigned by TRC = 0.5 K; TRC
Tfus301.6KN/AJannelli and Pansini, 1985Uncertainty assigned by TRC = 0.1 K; TRC
Tfus301.61KN/AJannelli and Pansini, 1985, 2Uncertainty assigned by TRC = 0.1 K; TRC
Tfus301.61KN/ALopez, Jannelli, et al., 1983Uncertainty assigned by TRC = 0.5 K; TRC
Tfus301.60KN/ASacco and Jannelli, 1972Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc855.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 5. K; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc71.95atmN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 2.96 atm; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
rhoc2.996mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.12 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap16.5 ± 0.33kcal/molCMorais, Matos, et al., 2004AC
Deltavap16.2 ± 0.2kcal/molEBSteele, Chirico, et al., 1997, 2Based on data from 424. - 542. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
13.9413.TGAAl-Najjar and Al-Sammerrai, 2007Based on data from 373. - 453. K.; AC
14.1438.N/ADykyj, Svoboda, et al., 1999Based on data from 423. - 529. K.; AC
12.8379.N/ADykyj, Svoboda, et al., 1999Based on data from 364. - 529. K.; AC
7.41315.AStephenson and Malanowski, 1987Based on data from 303. - 328. K.; AC
14.0428.AStephenson and Malanowski, 1987Based on data from 413. - 558. K.; AC
13.0380.N/AShcherbina, Kaporovskii, et al., 1984Based on data from 360. - 400. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.327301.7Ahlers, Lohmann, et al., 1999AC
0.342301.6Domanska, Moollan, et al., 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
4.434288.6Domanska, Moollan, et al., 1996, 2CAL
1.13301.6

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:


Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PEAitken, Gosney, et al., 1984LBLHLM
9.91 ± 0.07PIEvlasheva, Puchkova, et al., 1975LLK
10.75PEAitken, Gosney, et al., 1984Vertical value; LBLHLM
10.24PEMuller, Schweig, et al., 1974Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 804
NIST MS number 227911

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Lee, 1986
Lee, F.-M., Use of Organic Sulfones as the Extractive Distillation SOlvent for Aromatic Recovery, Ind. Eng. Chem. Process Des. Dev., 1986, 25, 949-57. [all data]

Tripathi, RajaRam, et al., 1975
Tripathi, R.P.; RajaRam, A.; Bhimeshwararao, P., Liquid-liquid equilibria in ternary system toluene + n-heptane + sulfolane, J. Chem. Eng. Data, 1975, 20, 261-4. [all data]

Jannelli and Pansini, 1985
Jannelli, L.; Pansini, M., Thermodynamic properties of dilute solutions of C2-C6 n-alkanoic acids in sulfolane, J. Chem. Eng. Data, 1985, 30, 349. [all data]

Jannelli and Pansini, 1985, 2
Jannelli, L.; Pansini, M., Solid-Liquid Phase Diagram and Excess Propertiers at 303.16 and 313.16 K of Dimethyl Sulfoxide (1) + Sulfolane (2) Binary System, J. Chem. Eng. Data, 1985, 30, 428. [all data]

Lopez, Jannelli, et al., 1983
Lopez, A.; Jannelli, L.; Pansini, M., Thermodynamic and Physical Properties of Binary Systems Involving Sulfolane + 2-Methylpropionitrile and Sulfolane + 2,2-Dimethylpropionitrile dimethylpropionitrile., J. Chem. Eng. Data, 1983, 28, 176. [all data]

Sacco and Jannelli, 1972
Sacco, A.; Jannelli, L., Thermodynamic behavior of binary mixtures involving sulfolane: I excess volumes of sulfolane with benzene, carbon tetrachloride, and dioxan, J. Chem. Thermodyn., 1972, 4, 191-7. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturted Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di-tert-butylbenzene, (±)-2-Ethylhexanoic Acid, 1-(m, J. Chem. Eng. Data, 1997, 42, 1021-36. [all data]

Morais, Matos, et al., 2004
Morais, Victor M.F.; Matos, M. Agostinha R.; Miranda, Margarida S.; Liebman, Joel F., Surprises with strain energy and sulpholane (tetrahydrothiophene 1,1-dioxide): a combined experimental and theoretical investigation, Molecular Physics, 2004, 102, 5, 525-530, https://doi.org/10.1080/002689710410001671558 . [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di- tert -butylbenzene, (±)-2-Ethylhexanoic Acid, 2-(Methylamino)ethanol, Perfluoro- n -heptane, and Sulfolane, J. Chem. Eng. Data, 1997, 42, 6, 1021-1036, https://doi.org/10.1021/je9701036 . [all data]

Al-Najjar and Al-Sammerrai, 2007
Al-Najjar, Hazim; Al-Sammerrai, Dhoaib, Thermogravimetric determination of the heat of vaporization of some highly polar solvents, J. Chem. Technol. Biotechnol., 2007, 37, 3, 145-152, https://doi.org/10.1002/jctb.280370302 . [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]

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]

Shcherbina, Kaporovskii, et al., 1984
Shcherbina, A.E.; Kaporovskii, L.M.; Shcherbina, E.A., Zh. Prikl. Khim. (Leningrad), 1984, 57, 1910. [all data]

Ahlers, Lohmann, et al., 1999
Ahlers, Jens; Lohmann, Jürgen; Gmehling, Jürgen, Binary Solid-Liquid Equilibria of Organic Systems Containing Different Amides and Sulfolane, J. Chem. Eng. Data, 1999, 44, 4, 727-730, https://doi.org/10.1021/je9802975 . [all data]

Domanska, Moollan, et al., 1996
Domanska, Urszula; Moollan, Warren C.; Letcher, Trevor M., Solubility of Sulfolane in Selected Organic Solvents, J. Chem. Eng. Data, 1996, 41, 2, 261-265, https://doi.org/10.1021/je950236w . [all data]

Domanska, Moollan, et al., 1996, 2
Domanska, U.; Moollan, W.C.; Letcher, T.M., Solubility of Sulfolane in Selected Organic Solvents, J. Chem. Eng. Data, 1996, 41, 2, 261, https://doi.org/10.1021/je950236w . [all data]

Aitken, Gosney, et al., 1984
Aitken, R.A.; Gosney, I.; Farries, H.; Palmer, M.H.; Simpson, I.; Cadogan, J.I.G.; Tinley, E.J., Chemical repercussions of orbital interactions through bond and through space. The reactivity of the double bond in unsaturated cyclic sulphones towards aziridine formation and epoxidation, Tetrahedron, 1984, 40, 2487. [all data]

Evlasheva, Puchkova, et al., 1975
Evlasheva, T.I.; Puchkova, V.V.; Potapov, V.K.; Gur'yanova, E.N., Ionisation potentials and electron-donating properties of sulphones, Russ. J. Phys. Chem., 1975, 49, 453. [all data]

Muller, Schweig, et al., 1974
Muller, C.; Schweig, A.; Mock, W.L., Through-conjugation through the sulfone group in 2,5-di-tert- butylthiophene 1,1-dioxide, J. Am. Chem. Soc., 1974, 96, 280. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References