- InChI
- InChI=1S/C4H10O2S2/c1-3-4-8(5,6)7-2/h3-4H2,1-2H3
- InChI Key
- ZFMGGTVJCVKKJZ-UHFFFAOYSA-N
- Formula
- C4H10O2S2
- SMILES
- CCCS(=O)(=O)SC
- Molecular Weight1
- 154.25
- Other Names
-
- Methyl propanethiosulfonate
- 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.
- 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° | -452.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.20 | Crippen Calculated Property | |
| logPoct/wat | 1.089 | Crippen Calculated Property | |
| McVol | 111.660 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Inp | 1188.00 | NIST | |
| Tboil | 407.48 | K | Joback Calculated Property |
| Tc | 595.52 | K | Joback Calculated Property |
| Tfus | 207.80 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.61; 254.64] | J/mol×K | [407.48; 595.52] | 
|
| Cp,gas | 201.61 | J/mol×K | 407.48 | Joback Calculated Property |
| Cp,gas | 211.26 | J/mol×K | 438.82 | Joback Calculated Property |
| Cp,gas | 220.61 | J/mol×K | 470.16 | Joback Calculated Property |
| Cp,gas | 229.63 | J/mol×K | 501.50 | Joback Calculated Property |
| Cp,gas | 238.31 | J/mol×K | 532.84 | Joback Calculated Property |
| Cp,gas | 246.65 | J/mol×K | 564.18 | Joback Calculated Property |
| Cp,gas | 254.64 | J/mol×K | 595.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Methylpropanethiosulfonate.
Sources
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