- InChI
- InChI=1S/C5H10O2S/c1-4(8)3-7-5(2)6/h4,8H,3H2,1-2H3
- InChI Key
- KQMORHZQISODSR-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC(=O)OCC(C)S
- Molecular Weight1
- 134.20
- 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 | 0.4456 | Relay (1.0) Calculated Property | |
| ΔfG° | -292.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.868 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [989.00; 989.00] |
|
|
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| I | [1565.00; 1565.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| Tboil | 436.60 | K | Relay (1.0) Calculated Property |
| Tc | 626.93 | K | Relay (1.0) Calculated Property |
| Tfus | 197.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.54; 254.72] | J/mol×K | [434.64; 637.74] |
|
| Cp,gas | 201.54 | J/mol×K | 434.64 | Joback Calculated Property |
| Cp,gas | 211.46 | J/mol×K | 468.49 | Joback Calculated Property |
| Cp,gas | 220.96 | J/mol×K | 502.34 | Joback Calculated Property |
| Cp,gas | 230.04 | J/mol×K | 536.19 | Joback Calculated Property |
| Cp,gas | 238.69 | J/mol×K | 570.04 | Joback Calculated Property |
| Cp,gas | 246.92 | J/mol×K | 603.89 | Joback Calculated Property |
| Cp,gas | 254.72 | J/mol×K | 637.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Sulfanylpropyl acetate.
Sources
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