1,3,5-Trithiane
- Formula: C3H6S3
- Molecular weight: 138.275
- IUPAC Standard InChI: InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
- IUPAC Standard InChIKey: LORRLQMLLQLPSJ-UHFFFAOYSA-N
- CAS Registry Number: 291-21-4
- 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: s-Trithiane; Formaldehyde, thio-, trimer; Trimethylene trisulfide; Trithioformaldehyde; 1,3,5-Trithiacyclohexane; sym-Trithiane; sym-Trithian; Thioform; Trimethylentrisulfid; NSC 1937
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Phase change data
Go To: Top, Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 22.3 ± 0.05 | kcal/mol | ME | Roux, Jiménez, et al., 2001 | |
| ΔsubH° | 22.4 | kcal/mol | N/A | De Wit, Van Miltenburg, et al., 1983 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.9 | 331. | TE,ME | De Wit, Van Miltenburg, et al., 1983 | Based on data from 320. to 339. K. |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference |
|---|---|---|
| 7.70 | 488.4 | van Miltenburg and van Ekeren, 2002 |
Gas Chromatography
Go To: Top, Phase change 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1271. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
| Capillary | OV-1 | 1259. | Chen and Ho, 1986 | H2, 4. K/min, 280. C @ 50. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1271. | Frerot, Velluz, et al., 2008 | 30. m/0.25 mm/1.0 μm, Helium, 60. C @ 5. min, 5. K/min; Tend: 250. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
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]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [all data]
Chen and Ho, 1986
Chen, C.-C.; Ho, C.-T.,
Identification of sulfurous compounds of shiitake mushroom (Lentinus edodes Sing.),
J. Agric. Food Chem., 1986, 34, 5, 830-833, https://doi.org/10.1021/jf00071a016
. [all data]
Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E.,
Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS,
Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy 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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