- InChI
- InChI=1S/C2H3ClOS/c3-1-2(4)5/h1H2,(H,4,5)
- InChI Key
- IRYMZPFJICXSLB-UHFFFAOYSA-N
- Formula
- C2H3ClOS
- SMILES
- O=C(S)CCl
- Molecular Weight1
- 110.56
- CAS
- 867-49-2
- Other Names
-
- «alpha»-Chlorothioacetic acid
- 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° | -145.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.91 | kJ/mol | Joback Calculated Property |
| log10WS | -0.66 | Crippen Calculated Property | |
| logPoct/wat | 0.682 | Crippen Calculated Property | |
| McVol | 69.200 | ml/mol | McGowan Calculated Property |
| Pc | 5739.21 | kPa | Joback Calculated Property |
| Tboil | 399.32 | K | Joback Calculated Property |
| Tc | 617.13 | K | Joback Calculated Property |
| Tfus | 228.61 | K | Joback Calculated Property |
| Vc | 0.257 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.79; 122.29] | J/mol×K | [399.32; 617.13] | 
|
| Cp,gas | 99.79 | J/mol×K | 399.32 | Joback Calculated Property |
| Cp,gas | 104.09 | J/mol×K | 435.62 | Joback Calculated Property |
| Cp,gas | 108.16 | J/mol×K | 471.92 | Joback Calculated Property |
| Cp,gas | 112.01 | J/mol×K | 508.22 | Joback Calculated Property |
| Cp,gas | 115.64 | J/mol×K | 544.53 | Joback Calculated Property |
| Cp,gas | 119.07 | J/mol×K | 580.83 | Joback Calculated Property |
| Cp,gas | 122.29 | J/mol×K | 617.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorothiolacetic acid.
Sources
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