- InChI
- InChI=1S/C8H12S/c1-2-5-8-6-3-4-7-9-8/h4-5,7H,2-3,6H2,1H3/b8-5+
- InChI Key
- JWEUCICKWOFJTO-VMPITWQZSA-N
- Formula
- C8H12S
- SMILES
- CCC=C1CCC=CS1
- Molecular Weight1
- 140.25
- 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.
- 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° | 163.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 45.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.321 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Inp | 1151.00 | NIST | |
| I | [1417.00; 1417.00] |
|
|
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 460.29 | K | Joback Calculated Property |
| Tc | 687.67 | K | Joback Calculated Property |
| Tfus | 286.11 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.51; 307.47] | J/mol×K | [460.29; 687.67] |
|
| Cp,gas | 232.51 | J/mol×K | 460.29 | Joback Calculated Property |
| Cp,gas | 247.15 | J/mol×K | 498.19 | Joback Calculated Property |
| Cp,gas | 260.87 | J/mol×K | 536.08 | Joback Calculated Property |
| Cp,gas | 273.72 | J/mol×K | 573.98 | Joback Calculated Property |
| Cp,gas | 285.74 | J/mol×K | 611.87 | Joback Calculated Property |
| Cp,gas | 296.97 | J/mol×K | 649.77 | Joback Calculated Property |
| Cp,gas | 307.47 | J/mol×K | 687.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocyclohex-3-ene, 4-propylidene.
Sources
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