- InChI
- InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
- InChI Key
- XQVYLDFSPBXACS-UHFFFAOYSA-N
- Formula
- C6H12S3
- SMILES
- CC1SC(C)SC(C)S1
- Molecular Weight1
- 180.35
- CAS
- 2765-04-0
- Other Names
-
- S-Trithiane, 2,4,6-trimethyl-
- Thioacetaldehyde trimer
- Trithioacetaldehyde
- 1,3,5-Trimethyl-S-trithiane
- 2,4,6-Trimethyl-S-trithiane
- 2,4,6-Trimethyl-1,3,5-trithiane
- 1,3,5-Trimethyl-2,4,6-trithiane
- Thioacetaldehyde cyclic trimer
- 2,4,6-Trimethyl-s-trithiane (trithioacetaldehyde)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 128.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.20 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.39] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.39 ± 0.05 | eV | NIST |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.238 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Inp | [1306.00; 1356.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Tboil | 490.38 | K | Joback Calculated Property |
| Tc | 744.71 | K | Joback Calculated Property |
| Tfus | 406.63 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.27; 354.22] | J/mol×K | [490.38; 744.71] |
|
| Cp,gas | 271.27 | J/mol×K | 490.38 | Joback Calculated Property |
| Cp,gas | 287.41 | J/mol×K | 532.77 | Joback Calculated Property |
| Cp,gas | 302.61 | J/mol×K | 575.16 | Joback Calculated Property |
| Cp,gas | 316.87 | J/mol×K | 617.55 | Joback Calculated Property |
| Cp,gas | 330.21 | J/mol×K | 659.94 | Joback Calculated Property |
| Cp,gas | 342.65 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 354.22 | J/mol×K | 744.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Trithiane, 2,4,6-trimethyl-.
Sources
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