- InChI
- InChI=1S/C6H12O2S/c1-5(4-9)3-8-6(2)7/h5,9H,3-4H2,1-2H3
- InChI Key
- UZTBIAAZANCTHQ-UHFFFAOYSA-N
- Formula
- C6H12O2S
- SMILES
- CC(=O)OCC(C)CS
- Molecular Weight1
- 148.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4838 | Relay (1.0) Calculated Property | |
| ΔfG° | -283.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.115 | Crippen Calculated Property | |
| McVol | 119.190 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [1059.00; 1059.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| I | 1613.00 | NIST | |
| Tboil | 458.54 | K | Relay (1.0) Calculated Property |
| Tc | 650.19 | K | Relay (1.0) Calculated Property |
| Tfus | 205.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.60; 300.68] | J/mol×K | [457.52; 658.23] |
|
| Cp,gas | 240.60 | J/mol×K | 457.52 | Joback Calculated Property |
| Cp,gas | 251.85 | J/mol×K | 490.97 | Joback Calculated Property |
| Cp,gas | 262.60 | J/mol×K | 524.42 | Joback Calculated Property |
| Cp,gas | 272.85 | J/mol×K | 557.88 | Joback Calculated Property |
| Cp,gas | 282.62 | J/mol×K | 591.33 | Joback Calculated Property |
| Cp,gas | 291.89 | J/mol×K | 624.78 | Joback Calculated Property |
| Cp,gas | 300.68 | J/mol×K | 658.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanyl-2-methylpropyl acetate.
Sources
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