- InChI
- InChI=1S/C6H12OS2/c1-4-5(8-2)6(7)9-3/h5H,4H2,1-3H3
- InChI Key
- SEXRBODMANPKKE-UHFFFAOYSA-N
- Formula
- C6H12OS2
- SMILES
- CCC(SC)C(=O)SC
- Molecular Weight1
- 164.29
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3323 | Relay (... Calculated Property | |
| ΔfG° | -65.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.51 | eV | Relay (... Calculated Property |
| log10WS | -1.00 | Relay (... Calculated Property | |
| logPoct/wat | 2.018 | Crippen Calculated Property | |
| McVol | 129.670 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 470.32 | K | Relay (... Calculated Property |
| Tc | 677.52 | K | Relay (... Calculated Property |
| Tfus | 261.00 | K | Relay (... Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.32; 330.60] | J/mol×K | [527.67; 754.80] | 
|
| Cp,gas | 269.32 | J/mol×K | 527.67 | Joback Calculated Property |
| Cp,gas | 281.07 | J/mol×K | 565.52 | Joback Calculated Property |
| Cp,gas | 292.21 | J/mol×K | 603.38 | Joback Calculated Property |
| Cp,gas | 302.74 | J/mol×K | 641.23 | Joback Calculated Property |
| Cp,gas | 312.64 | J/mol×K | 679.09 | Joback Calculated Property |
| Cp,gas | 321.93 | J/mol×K | 716.94 | Joback Calculated Property |
| Cp,gas | 330.60 | J/mol×K | 754.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-methyl-2-methylthiobutanoate.
Sources
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