- InChI
- InChI=1S/C8H12S/c1-7(2)8-5-3-4-6-9-8/h4,6H,3,5H2,1-2H3
- InChI Key
- CWSRYRUWBIEKHS-UHFFFAOYSA-N
- Formula
- C8H12S
- SMILES
- CC(C)=C1CCC=CS1
- Molecular Weight1
- 140.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2034 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 76.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.321 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1151.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| I | 1416.00 | NIST | |
| Tboil | 455.86 | K | Relay (1.0) Calculated Property |
| Tc | 632.21 | K | Relay (1.0) Calculated Property |
| Tfus | 235.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.43; 308.45] | J/mol×K | [460.17; 692.29] |
|
| Cp,gas | 232.43 | J/mol×K | 460.17 | Joback Calculated Property |
| Cp,gas | 247.32 | J/mol×K | 498.86 | Joback Calculated Property |
| Cp,gas | 261.26 | J/mol×K | 537.54 | Joback Calculated Property |
| Cp,gas | 274.30 | J/mol×K | 576.23 | Joback Calculated Property |
| Cp,gas | 286.48 | J/mol×K | 614.92 | Joback Calculated Property |
| Cp,gas | 297.84 | J/mol×K | 653.60 | Joback Calculated Property |
| Cp,gas | 308.45 | J/mol×K | 692.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiocyclohex-3-ene, 4-isopropylidene.
Sources
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