- InChI
- InChI=1S/C5H9ClO2S/c1-5(2,8)9-4(7)3-6/h8H,3H2,1-2H3
- InChI Key
- GDDZVLZUEQMTLZ-UHFFFAOYSA-N
- Formula
- C5H9ClO2S
- SMILES
- CC(C)(O)SC(=O)CCl
- Molecular Weight1
- 168.64
- CAS
- 37960-78-4
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -250.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 117.340 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Tboil | 562.83 | K | Joback Calculated Property |
| Tc | 770.73 | K | Joback Calculated Property |
| Tfus | 323.60 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.14; 292.75] | J/mol×K | [562.83; 770.73] | 
|
| Cp,gas | 251.14 | J/mol×K | 562.83 | Joback Calculated Property |
| Cp,gas | 259.36 | J/mol×K | 597.48 | Joback Calculated Property |
| Cp,gas | 267.03 | J/mol×K | 632.13 | Joback Calculated Property |
| Cp,gas | 274.18 | J/mol×K | 666.78 | Joback Calculated Property |
| Cp,gas | 280.84 | J/mol×K | 701.43 | Joback Calculated Property |
| Cp,gas | 287.02 | J/mol×K | 736.08 | Joback Calculated Property |
| Cp,gas | 292.75 | J/mol×K | 770.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanethioic acid, chloro-, S-(1-hydroxy-1-methylethyl) ester.
Sources
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