- InChI
- InChI=1S/C8H16OS/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- DUODPBLEEBFAEG-UHFFFAOYSA-N
- Formula
- C8H16OS
- SMILES
- CCCC(=O)SCC(C)C
- Molecular Weight1
- 160.28
- 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° | -81.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.702 | Crippen Calculated Property | |
| McVol | 141.500 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | [1088.00; 1088.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Tboil | 504.65 | K | Joback Calculated Property |
| Tc | 704.63 | K | Joback Calculated Property |
| Tfus | 249.25 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.83; 379.39] | J/mol×K | [504.65; 704.63] |
|
| Cp,gas | 307.83 | J/mol×K | 504.65 | Joback Calculated Property |
| Cp,gas | 321.28 | J/mol×K | 537.98 | Joback Calculated Property |
| Cp,gas | 334.10 | J/mol×K | 571.31 | Joback Calculated Property |
| Cp,gas | 346.32 | J/mol×K | 604.64 | Joback Calculated Property |
| Cp,gas | 357.93 | J/mol×K | 637.97 | Joback Calculated Property |
| Cp,gas | 368.95 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 379.39 | J/mol×K | 704.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyl thiobutyrate.
Sources
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