- InChI
- InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
- InChI Key
- AIILTVHCLAEMDA-UHFFFAOYSA-N
- Formula
- C4H8OS
- SMILES
- CCC(=O)SC
- Molecular Weight1
- 104.17
- CAS
- 5925-75-7
- Other Names
-
- S-Methyl thiopropanoate
- S-Methyl thiopropionate
- S-Methyl methylthiopropionate
- 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° | -113.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.16 | Crippen Calculated Property | |
| logPoct/wat | 1.286 | Crippen Calculated Property | |
| McVol | 85.140 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Inp | [785.00; 785.00] |
|
|
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 785.00 | NIST | |
| I | [1130.00; 1131.00] |
|
|
| I | 1131.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1130.00 | NIST | |
| Tboil | 413.57 | K | Joback Calculated Property |
| Tc | 618.94 | K | Joback Calculated Property |
| Tfus | 219.17 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.97; 191.25] | J/mol×K | [413.57; 618.94] |
|
| Cp,gas | 147.97 | J/mol×K | 413.57 | Joback Calculated Property |
| Cp,gas | 155.97 | J/mol×K | 447.80 | Joback Calculated Property |
| Cp,gas | 163.66 | J/mol×K | 482.03 | Joback Calculated Property |
| Cp,gas | 171.03 | J/mol×K | 516.25 | Joback Calculated Property |
| Cp,gas | 178.09 | J/mol×K | 550.48 | Joback Calculated Property |
| Cp,gas | 184.83 | J/mol×K | 584.71 | Joback Calculated Property |
| Cp,gas | 191.25 | J/mol×K | 618.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Methyl propanethioate.
Sources
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