- InChI
- InChI=1S/C3H8O2S/c1-3-6(4)5-2/h3H2,1-2H3
- InChI Key
- UTOWKUXZEJXEMP-UHFFFAOYSA-N
- Formula
- C3H8O2S
- SMILES
- CCS(=O)OC
- Molecular Weight1
- 108.16
- CAS
- 31401-21-5
- Other Names
-
- Methyl ethanesulfinate
- 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.
- 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 | 0.3273 | Relay (... Calculated Property | |
| ΔfG° | -348.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | 0.82 | Relay (... Calculated Property | |
| logPoct/wat | 0.316 | Crippen Calculated Property | |
| McVol | 81.220 | ml/mol | McGowan Calculated Property |
| Pc | 4842.69 | kPa | Joback Calculated Property |
| Inp | 798.00 | NIST | |
| Tboil | 421.85 | K | Relay (... Calculated Property |
| Tc | 645.97 | K | Relay (... Calculated Property |
| Tfus | 243.51 | K | Relay (... Calculated Property |
| Vc | 0.300 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.42; 173.92] | J/mol×K | [348.74; 526.14] | 
|
| Cp,gas | 135.42 | J/mol×K | 348.74 | Joback Calculated Property |
| Cp,gas | 142.14 | J/mol×K | 378.31 | Joback Calculated Property |
| Cp,gas | 148.76 | J/mol×K | 407.87 | Joback Calculated Property |
| Cp,gas | 155.26 | J/mol×K | 437.44 | Joback Calculated Property |
| Cp,gas | 161.62 | J/mol×K | 467.01 | Joback Calculated Property |
| Cp,gas | 167.85 | J/mol×K | 496.57 | Joback Calculated Property |
| Cp,gas | 173.92 | J/mol×K | 526.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanesulfinic acid, methyl ester.
Sources
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