1,3,5-Trithiane

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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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub22.3 ± 0.05kcal/molMERoux, Jiménez, et al., 2001 
Δsub22.4kcal/molN/ADe Wit, Van Miltenburg, et al., 1983 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
21.9331.TE,MEDe Wit, Van Miltenburg, et al., 1983Based on data from 320. to 339. K.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference
7.70488.4van Miltenburg and van Ekeren, 2002

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

Ionization energy determinations

IE (eV) Method Reference Comment
7.7PEBock, Schulz, et al., 1981LLK
8.58PEBock, Schulz, et al., 1981Vertical value; LLK
8.83 ± 0.05PEKroto, Landsberg, et al., 1974Vertical value; LLK
8.76PESweigart and Turner, 1972Vertical value; LLK

References

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

Roux, Jiménez, et al., 2001
Roux, María Victoria; Jiménez, Pilar; Dávalos, Juan Z.; Notario, Rafael; Juaristi, Eusebio, Calorimetric and Computational Study of 1,3,5-Trithiane «8224», J. Org. Chem., 2001, 66, 16, 5343-5351, https://doi.org/10.1021/jo001757b . [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]

van Miltenburg and van Ekeren, 2002
van Miltenburg, J.C.; van Ekeren, P.J., Thermodynamic properties of 1,3,5-trithiane derived from solid phase heat capacity measurements by adiabatic calorimetry and DSC measurements in the melting range, Thermochimica Acta, 2002, 385, 1-2, 11-17, https://doi.org/10.1016/S0040-6031(01)00719-5 . [all data]

Bock, Schulz, et al., 1981
Bock, H.; Schulz, W.; Schmidt, M., P. E. spektren und molekuleigenschaften. 89. Ionissationsmuster und konformation von Cyclo-Polythianen (H2CS)n, Z. Anorg. Allg. Chem., 1981, 474, 199. [all data]

Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A., The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH3CHS, and thioacetone, (CH3)2CS, Chem. Phys. Lett., 1974, 29, 265. [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]


Notes

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