- InChI
- InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
- InChI Key
- GKRISGLFPMFKSX-UHFFFAOYSA-N
- Formula
- C6H10OS
- SMILES
- C=CCSC(=O)CC
- Molecular Weight1
- 130.21
- CAS
- 41820-22-8
- 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° | -8.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.842 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Inp | 709.00 | NIST | |
| Tboil | 456.01 | K | Joback Calculated Property |
| Tc | 661.16 | K | Joback Calculated Property |
| Tfus | 239.95 | K | Joback Calculated Property |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.07; 260.64] | J/mol×K | [456.01; 661.16] | 
|
| Cp,gas | 207.07 | J/mol×K | 456.01 | Joback Calculated Property |
| Cp,gas | 217.17 | J/mol×K | 490.20 | Joback Calculated Property |
| Cp,gas | 226.79 | J/mol×K | 524.39 | Joback Calculated Property |
| Cp,gas | 235.94 | J/mol×K | 558.58 | Joback Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 592.78 | Joback Calculated Property |
| Cp,gas | 252.85 | J/mol×K | 626.97 | Joback Calculated Property |
| Cp,gas | 260.64 | J/mol×K | 661.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl thiopropionate.
Sources
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