- InChI
- InChI=1S/C2H3ClOS/c1-5-2(3)4/h1H3
- InChI Key
- YPSUCTSXOROPBS-UHFFFAOYSA-N
- Formula
- C2H3ClOS
- SMILES
- CSC(=O)Cl
- Molecular Weight1
- 110.56
- Other Names
-
- Formic acid, chlorothio-, S-methyl ester
- Methyl chlorothioformate
- Methyl chlorothiolformate
- Methyl thiochloroformate
- Methyl thiolchloroformate
- S-Methyl chlorothioformate
- S-Methyl chlorothiolformate
- Thioformic acid, chloro-, methyl ester
- 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).
- 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 | 0.2353 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.708 | Crippen Calculated Property | |
| McVol | 69.200 | ml/mol | McGowan Calculated Property |
| Pc | 5351.35 | kPa | Joback Calculated Property |
| Tboil | 383.20 | K | NIST |
| Tc | 561.51 | K | Relay (1.0) Calculated Property |
| Tfus | 196.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.242 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.96; 123.29] | J/mol×K | [405.24; 623.12] | 
|
| Cp,gas | 99.96 | J/mol×K | 405.24 | Joback Calculated Property |
| Cp,gas | 104.30 | J/mol×K | 441.55 | Joback Calculated Property |
| Cp,gas | 108.47 | J/mol×K | 477.87 | Joback Calculated Property |
| Cp,gas | 112.45 | J/mol×K | 514.18 | Joback Calculated Property |
| Cp,gas | 116.26 | J/mol×K | 550.49 | Joback Calculated Property |
| Cp,gas | 119.87 | J/mol×K | 586.81 | Joback Calculated Property |
| Cp,gas | 123.29 | J/mol×K | 623.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonochloridothioic acid, S-methyl ester.
Sources
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