- 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
- 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° | 90.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen 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; 1080.00] |
|
|
| Inp | 1080.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Tboil | 445.11 | K | Joback Calculated Property |
| Tc | 658.20 | K | Joback Calculated Property |
| Tfus | 259.27 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
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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