1,3-Dithiane
- Formula: C4H8S2
- Molecular weight: 120.236
- IUPAC Standard InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N
- CAS Registry Number: 505-23-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: m-Dithiane; 1,3-Dithiacyclohexane; Dithiane-1,3
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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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 327.2 | K | N/A | De Wit, Offringa, et al., 1983 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 15.0 ± 0.2 | kcal/mol | ME | Roux, Dávalos, et al., 1999 | Based on data from 266. to 279. K.; AC |
ΔsubH° | 16.7 ± 0.1 | kcal/mol | GC | Azandegbe, 1989 | AC |
ΔsubH° | 12.5 ± 0.2 | kcal/mol | C | Morawetz, 1971 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.4 | 263. | TE,ME | De Wit, Van Miltenburg, et al., 1983 | Based on data from 250. to 271. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.44 | 327.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.605 | 316.4 | Domalski and Hearing, 1996 | CAL |
10.52 | 327.2 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.191 | 316.4 | crystaline, II | crystaline, I | DeWit, Offringa, et al., 1983 | DH |
3.4417 | 327.2 | crystaline, I | liquid | DeWit, Offringa, et al., 1983 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.60 | 316.4 | crystaline, II | crystaline, I | DeWit, Offringa, et al., 1983 | DH |
10.5 | 327.2 | crystaline, I | liquid | DeWit, Offringa, et al., 1983 | DH |
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.
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]
Roux, Dávalos, et al., 1999
Roux, M.V.; Dávalos, J.Z.; Jiménez, P.; Flores, H.; Saiz, J.-L.; Abboud, J.-L.M.; Juaristi, E.,
Structural effects on the thermochemical properties of sulfur compounds: I. Enthalpy of combustion, vapour pressures, enthalpy of sublimation, and standard molar enthalpy of formation in the gaseous phase of 1,3-dithiane,
The Journal of Chemical Thermodynamics, 1999, 31, 5, 635-646, https://doi.org/10.1006/jcht.1998.0471
. [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]
Morawetz, 1971
Morawetz, E.,
Chem. Scr., 1971, 1, 103. [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]
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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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