- InChI
- InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3
- InChI Key
- UXPUEXDAOSQIQS-UHFFFAOYSA-N
- Formula
- C4H8S3
- SMILES
- CC1SCCSS1
- Molecular Weight1
- 152.30
- Other Names
-
- 1,2,4-Trithiane, 3-methyl
- 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).
- 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.
- I : 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° | 126.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.461 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 4994.44 | kPa | Joback Calculated Property |
| Inp | [1214.00; 1290.00] |
|
|
| Inp | 1266.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| I | [1852.00; 1862.00] |
|
|
| I | 1852.00 | NIST | |
| I | 1862.00 | NIST | |
| Tboil | 453.96 | K | Joback Calculated Property |
| Tc | 718.89 | K | Joback Calculated Property |
| Tfus | 392.57 | K | Joback Calculated Property |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.98; 249.78] | J/mol×K | [453.96; 718.89] |
|
| Cp,gas | 186.98 | J/mol×K | 453.96 | Joback Calculated Property |
| Cp,gas | 199.50 | J/mol×K | 498.11 | Joback Calculated Property |
| Cp,gas | 211.14 | J/mol×K | 542.27 | Joback Calculated Property |
| Cp,gas | 221.95 | J/mol×K | 586.42 | Joback Calculated Property |
| Cp,gas | 231.97 | J/mol×K | 630.58 | Joback Calculated Property |
| Cp,gas | 241.23 | J/mol×K | 674.73 | Joback Calculated Property |
| Cp,gas | 249.78 | J/mol×K | 718.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1,2,4-trithiane.
Sources
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