- InChI
- InChI=1S/C5H8Cl2O2S/c1-5(2,9)10-4(8)3(6)7/h3,9H,1-2H3
- InChI Key
- VTFPEDMFUNDKGF-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2S
- SMILES
- CC(C)(O)SC(=O)C(Cl)Cl
- Molecular Weight1
- 203.09
- CAS
- 37960-79-5
- 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).
- 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 | 0.5259 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.778 | Crippen Calculated Property | |
| McVol | 129.580 | ml/mol | McGowan Calculated Property |
| Pc | 4041.50 | kPa | Joback Calculated Property |
| Tboil | 482.61 | K | Relay (1.0) Calculated Property |
| Tc | 710.87 | K | Relay (1.0) Calculated Property |
| Tfus | 353.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.06; 310.12] | J/mol×K | [599.82; 816.20] | 
|
| Cp,gas | 272.06 | J/mol×K | 599.82 | Joback Calculated Property |
| Cp,gas | 279.76 | J/mol×K | 635.88 | Joback Calculated Property |
| Cp,gas | 286.87 | J/mol×K | 671.95 | Joback Calculated Property |
| Cp,gas | 293.43 | J/mol×K | 708.01 | Joback Calculated Property |
| Cp,gas | 299.47 | J/mol×K | 744.07 | Joback Calculated Property |
| Cp,gas | 305.02 | J/mol×K | 780.13 | Joback Calculated Property |
| Cp,gas | 310.12 | J/mol×K | 816.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanethioic acid, dichloro-, S-(1-hydroxy-1-methylethyl) ester.
Sources
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