- InChI
- InChI=1S/C4H8OS/c1-3-5-4(2)6/h3H2,1-2H3
- InChI Key
- IEPFHYMMMGMRNF-UHFFFAOYSA-N
- Formula
- C4H8OS
- SMILES
- CCOC(C)=S
- Molecular Weight1
- 104.17
- CAS
- 926-67-0
- Other Names
-
- CH3C(S)OCH2CH3
- Ethyl thionacetate
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 863.60 | kJ/mol | NIST |
| BasG | 831.80 | kJ/mol | NIST |
| ΔfG° | -5.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.64 | kJ/mol | Joback Calculated Property |
| IE | 8.82 | eV | NIST |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.370 | Crippen Calculated Property | |
| McVol | 85.140 | ml/mol | McGowan Calculated Property |
| Pc | 4288.66 | kPa | Joback Calculated Property |
| Tboil | 383.38 | K | Joback Calculated Property |
| Tc | 580.19 | K | Joback Calculated Property |
| Tfus | 191.34 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.98; 183.67] | J/mol×K | [383.38; 580.19] | 
|
| Cp,gas | 142.98 | J/mol×K | 383.38 | Joback Calculated Property |
| Cp,gas | 150.69 | J/mol×K | 416.18 | Joback Calculated Property |
| Cp,gas | 158.01 | J/mol×K | 448.98 | Joback Calculated Property |
| Cp,gas | 164.94 | J/mol×K | 481.79 | Joback Calculated Property |
| Cp,gas | 171.52 | J/mol×K | 514.59 | Joback Calculated Property |
| Cp,gas | 177.76 | J/mol×K | 547.39 | Joback Calculated Property |
| Cp,gas | 183.67 | J/mol×K | 580.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thioacetic acid, O-ethyl ester.
Sources
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