- InChI
- InChI=1S/C10H18O2S/c1-3-4-5-6-8-12-10(11)7-9-13-2/h4-5H,3,6-9H2,1-2H3/b5-4-
- InChI Key
- YQYJLDYTWFXZNJ-PLNGDYQASA-N
- Formula
- C10H18O2S
- SMILES
- CCC=CCCOC(=O)CCSC
- Molecular Weight1
- 202.31
- 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).
- 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° | -87.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.639 | Crippen Calculated Property | |
| McVol | 171.250 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| I | [2000.00; 2000.00] |
|
|
| I | 2000.00 | NIST | |
| I | 2000.00 | NIST | |
| Tboil | 577.43 | K | Joback Calculated Property |
| Tc | 774.70 | K | Joback Calculated Property |
| Tfus | 303.94 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.03; 480.63] | J/mol×K | [577.43; 774.70] |
|
| Cp,gas | 406.03 | J/mol×K | 577.43 | Joback Calculated Property |
| Cp,gas | 420.14 | J/mol×K | 610.31 | Joback Calculated Property |
| Cp,gas | 433.55 | J/mol×K | 643.19 | Joback Calculated Property |
| Cp,gas | 446.30 | J/mol×K | 676.07 | Joback Calculated Property |
| Cp,gas | 458.38 | J/mol×K | 708.95 | Joback Calculated Property |
| Cp,gas | 469.82 | J/mol×K | 741.82 | Joback Calculated Property |
| Cp,gas | 480.63 | J/mol×K | 774.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-hexenyl 3-(methylthio)propanoate.
Sources
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