- InChI
- InChI=1S/C5H10O2S/c1-4(6)8-5(2,3)7/h7H,1-3H3
- InChI Key
- NMSBMSLXIQNADU-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC(=O)SC(C)(C)O
- Molecular Weight1
- 134.20
- CAS
- 37960-77-3
- 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).
- 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 | 0.5288 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.994 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Tboil | 430.81 | K | Relay (1.0) Calculated Property |
| Tc | 643.36 | K | Relay (1.0) Calculated Property |
| Tfus | 296.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.48; 275.26] | J/mol×K | [525.40; 728.69] | 
|
| Cp,gas | 229.48 | J/mol×K | 525.40 | Joback Calculated Property |
| Cp,gas | 238.39 | J/mol×K | 559.28 | Joback Calculated Property |
| Cp,gas | 246.75 | J/mol×K | 593.16 | Joback Calculated Property |
| Cp,gas | 254.60 | J/mol×K | 627.05 | Joback Calculated Property |
| Cp,gas | 261.95 | J/mol×K | 660.93 | Joback Calculated Property |
| Cp,gas | 268.83 | J/mol×K | 694.81 | Joback Calculated Property |
| Cp,gas | 275.26 | J/mol×K | 728.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester.
Sources
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