1,4-Dithiane

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Condensed phase thermochemistry data

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
129.8300.DeWit, Offringa, et al., 1983T = 300 to 450 K.

Phase change data

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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:
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

Quantity Value Units Method Reference Comment
Tboil472.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus384.6KN/ADe Wit, Offringa, et al., 1983Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δsub63.kJ/molN/ADávalos, Flores, et al., 1999AC
Δsub68.9kJ/molN/AAzandegbe, 1989AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
48.7404.N/ADykyj, Svoboda, et al., 1999Based on data from 389. to 437. K.; AC
47.9403.AStephenson and Malanowski, 1987Based on data from 388. to 437. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
72.4268.EDe Wit, Van Miltenburg, et al., 1983Based on data from 253. to 276. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
21.600384.6DeWit, Offringa, et al., 1983DH
21.6384.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
56.2384.6DeWit, Offringa, et al., 1983DH

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

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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.8 ± 0.1EIConde-Caprace and Collin, 1969RDSH
8.5EIKiser and Gallegos, 1962RDSH
8.58PESweigart and Turner, 1972Vertical value; LLK
8.46PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2S+13. ± 0.3?EIConde-Caprace and Collin, 1969RDSH
C2H4S+10.9 ± 0.2?EIConde-Caprace and Collin, 1969RDSH
C2H4S2+11.0 ± 0.1?EIConde-Caprace and Collin, 1969RDSH
C2H5S+10.6 ± 0.2?EIConde-Caprace and Collin, 1969RDSH
C3H5S+10.7 ± 0.1?EIConde-Caprace and Collin, 1969RDSH
C3H5S2+10. ± 0.?EIConde-Caprace and Collin, 1969RDSH
C3H6S+11.4 ± 0.2?EIConde-Caprace and Collin, 1969RDSH
S2+12.4 ± 0.22C2H4EIConde-Caprace and Collin, 1969RDSH

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

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

DeWit, Offringa, et al., 1983
DeWit, H.G.M.; Offringa, J.C.A.; De Kruif, C.G.; Van Miltenburg, J.C., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen and sulfur. III. Molar heat capacities measured by differential scanning calorimetry, Thermochim. Acta, 1983, 65, 43-51. [all data]

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]

De Wit, Offringa, et al., 1983
De Wit, H.G.M.; Offringa, J.C.A.; De Kruif, C.G.; van Miltenburg, J.C., Thremodynamic properties of molecular organic crystals containing nitrogen, oxygen and sulfur. III. molar heat capacities measured by DSC. scanning calorimetry., Thermochim. Acta, 1983, 65, 43. [all data]

Dávalos, Flores, et al., 1999
Dávalos, Juan Z.; Flores, Henoc; Jiménez, Pilar; Notario, Rafael; Roux, María Victoria; Juaristi, Eusebio; Hosmane, Ramachandra S.; Liebman, Joel F., Calorimetric, Computational (G2(MP2) and G3) and Conceptual Study of the Energetics of the Isomeric 1,3- and 1,4-Dithianes «8224», J. Org. Chem., 1999, 64, 26, 9328-9336, https://doi.org/10.1021/jo990726h . [all data]

Azandegbe, 1989
Azandegbe, E.C., Determination of vaporization or sublimation enthalpies of some organic compounds by gas chromatography-calorimetry, Analusis, 1989, 17, 5, 285. [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]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [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]

Conde-Caprace and Collin, 1969
Conde-Caprace, G.; Collin, J.E., Ionization and dissociation of cyclic ethers and thioethers by electronimpact. A comparison between 1,4 dioxane, 1,4 dithiane and 1,4 oxathiane, Org. Mass Spectrom., 1969, 2, 1277. [all data]

Kiser and Gallegos, 1962
Kiser, R.W.; Gallegos, E.J., A technique for the rapid determination of ionization and appearance potentials, J. Phys. Chem., 1962, 66, 947. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem., J. Am. Chem. Soc., 1972, 94, 5599. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]


Notes

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