- InChI
- InChI=1S/C5H10O2S/c1-5(6)7-3-4-8-2/h3-4H2,1-2H3
- InChI Key
- CQIKBSVHIBIPGY-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CSCCOC(C)=O
- Molecular Weight1
- 134.20
- CAS
- 5862-47-5
- 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).
- 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 | 0.4061 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.913 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| I | [1464.00; 1538.00] |
|
|
| I | 1538.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1502.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1464.00 | NIST | |
| Tboil | 452.76 | K | Relay (1.0) Calculated Property |
| Tc | 643.58 | K | Relay (1.0) Calculated Property |
| Tfus | 221.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.70; 255.02] | J/mol×K | [441.00; 639.40] |
|
| Cp,gas | 202.70 | J/mol×K | 441.00 | Joback Calculated Property |
| Cp,gas | 212.35 | J/mol×K | 474.07 | Joback Calculated Property |
| Cp,gas | 221.64 | J/mol×K | 507.13 | Joback Calculated Property |
| Cp,gas | 230.56 | J/mol×K | 540.20 | Joback Calculated Property |
| Cp,gas | 239.10 | J/mol×K | 573.26 | Joback Calculated Property |
| Cp,gas | 247.25 | J/mol×K | 606.33 | Joback Calculated Property |
| Cp,gas | 255.02 | J/mol×K | 639.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(methylthio)ethyl acetate.
Sources
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