- InChI
- InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3
- InChI Key
- GSJSVAFGVJLTNQ-UHFFFAOYSA-N
- Formula
- C10H18O3S
- SMILES
- CCCC(CCOC(C)=O)SC(C)=O
- Molecular Weight1
- 218.31
- 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).
- 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° | -298.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.388 | Crippen Calculated Property | |
| McVol | 177.120 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| I | [1947.00; 1947.00] |
|
|
| I | 1947.00 | NIST | |
| I | 1947.00 | NIST | |
| Tboil | 626.70 | K | Joback Calculated Property |
| Tc | 827.31 | K | Joback Calculated Property |
| Tfus | 343.95 | K | Joback Calculated Property |
| Vc | 0.673 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.38; 517.41] | J/mol×K | [626.70; 827.31] |
|
| Cp,gas | 445.38 | J/mol×K | 626.70 | Joback Calculated Property |
| Cp,gas | 459.18 | J/mol×K | 660.14 | Joback Calculated Property |
| Cp,gas | 472.25 | J/mol×K | 693.57 | Joback Calculated Property |
| Cp,gas | 484.61 | J/mol×K | 727.01 | Joback Calculated Property |
| Cp,gas | 496.26 | J/mol×K | 760.44 | Joback Calculated Property |
| Cp,gas | 507.19 | J/mol×K | 793.88 | Joback Calculated Property |
| Cp,gas | 517.41 | J/mol×K | 827.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(acetylthio)hexyl acetate.
Sources
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