- InChI
- InChI=1S/C8H16S/c1-7(2)6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3
- InChI Key
- VNAMKUWAEAHCJL-UHFFFAOYSA-N
- Formula
- C8H16S
- SMILES
- CC(C)CC1CCCS1
- Molecular Weight1
- 144.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3049 | Relay (1.0) Calculated Property | |
| ΔfusH° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | 1080.00 | NIST | |
| Tboil | 466.12 | K | Relay (1.0) Calculated Property |
| Tc | 672.51 | K | Relay (1.0) Calculated Property |
| Tfus | 197.13 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.46; 352.75] | J/mol×K | [445.11; 658.20] | 
|
| Cp,gas | 263.46 | J/mol×K | 445.11 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 480.62 | Joback Calculated Property |
| Cp,gas | 296.73 | J/mol×K | 516.14 | Joback Calculated Property |
| Cp,gas | 312.00 | J/mol×K | 551.65 | Joback Calculated Property |
| Cp,gas | 326.40 | J/mol×K | 587.17 | Joback Calculated Property |
| Cp,gas | 339.97 | J/mol×K | 622.68 | Joback Calculated Property |
| Cp,gas | 352.75 | J/mol×K | 658.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isobutyl-thiolane.
Sources
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