- InChI
- InChI=1S/C6H12OS/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
- InChI Key
- MWHCJABIXNVCHK-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CCCCC(=O)SC
- Molecular Weight1
- 132.22
- CAS
- 42075-43-4
- 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° | -96.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.51 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 2.066 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Inp | 942.00 | NIST | |
| Tboil | 459.33 | K | Joback Calculated Property |
| Tc | 660.04 | K | Joback Calculated Property |
| Tfus | 241.71 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.40; 281.57] | J/mol×K | [459.33; 660.04] | 
|
| Cp,gas | 223.40 | J/mol×K | 459.33 | Joback Calculated Property |
| Cp,gas | 234.25 | J/mol×K | 492.78 | Joback Calculated Property |
| Cp,gas | 244.63 | J/mol×K | 526.23 | Joback Calculated Property |
| Cp,gas | 254.54 | J/mol×K | 559.69 | Joback Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 593.14 | Joback Calculated Property |
| Cp,gas | 273.01 | J/mol×K | 626.59 | Joback Calculated Property |
| Cp,gas | 281.57 | J/mol×K | 660.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Methyl pentanethioate.
Sources
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