- InChI
- InChI=1S/C8H16O2S/c1-5(7(3)11)6(2)10-8(4)9/h5-7,11H,1-4H3
- InChI Key
- HQPZOLJRLYJHKW-UHFFFAOYSA-N
- Formula
- C8H16O2S
- SMILES
- CC(=O)OC(C)C(C)C(C)S
- Molecular Weight1
- 176.28
- 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.
- 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° | -195.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 1.892 | Crippen Calculated Property | |
| McVol | 147.370 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1166.00; 1170.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1170.00 | NIST | |
| I | [1613.00; 1623.00] |
|
|
| I | 1613.00 | NIST | |
| I | 1623.00 | NIST | |
| Tboil | 520.27 | K | Joback Calculated Property |
| Tc | 727.60 | K | Joback Calculated Property |
| Tfus | 243.54 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.21; 403.78] | J/mol×K | [520.27; 727.60] |
|
| Cp,gas | 330.21 | J/mol×K | 520.27 | Joback Calculated Property |
| Cp,gas | 344.08 | J/mol×K | 554.83 | Joback Calculated Property |
| Cp,gas | 357.30 | J/mol×K | 589.38 | Joback Calculated Property |
| Cp,gas | 369.88 | J/mol×K | 623.94 | Joback Calculated Property |
| Cp,gas | 381.81 | J/mol×K | 658.49 | Joback Calculated Property |
| Cp,gas | 393.11 | J/mol×K | 693.05 | Joback Calculated Property |
| Cp,gas | 403.78 | J/mol×K | 727.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Mercapto-3-methylpentyl-2-acetate.
Sources
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