- InChI
- InChI=1S/C6H12OS/c1-2-3-6-7-4-5-8-6/h6H,2-5H2,1H3
- InChI Key
- FXMKUMPUWACOME-UHFFFAOYSA-N
- Formula
- C6H12OS
- SMILES
- CCCC1OCCS1
- Molecular Weight1
- 132.22
- 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° | -10.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.53 | kJ/mol | Joback Calculated Property |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [1005.00; 1059.00] |
|
|
| Inp | 1019.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Tboil | 426.74 | K | Joback Calculated Property |
| Tc | 639.53 | K | Joback Calculated Property |
| Tfus | 278.30 | K | Joback Calculated Property |
| Vc | 0.380 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.61; 282.86] | J/mol×K | [426.74; 639.53] |
|
| Cp,gas | 210.61 | J/mol×K | 426.74 | Joback Calculated Property |
| Cp,gas | 224.43 | J/mol×K | 462.21 | Joback Calculated Property |
| Cp,gas | 237.50 | J/mol×K | 497.67 | Joback Calculated Property |
| Cp,gas | 249.85 | J/mol×K | 533.14 | Joback Calculated Property |
| Cp,gas | 261.51 | J/mol×K | 568.60 | Joback Calculated Property |
| Cp,gas | 272.51 | J/mol×K | 604.07 | Joback Calculated Property |
| Cp,gas | 282.86 | J/mol×K | 639.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyl-1,3-oxothiolane.
Sources
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