- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.74; 146.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.09200e+01 | |||
| Coefficient B | 1.67010e-01 | |||
| Coefficient C | -4.65000e-05 | |||
| Coefficient D | -1.50400e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 82.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 93.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 103.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 112.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 120.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 128.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 134.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 139.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 143.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 146.39 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonochloridothioic acid, S-methyl ester.
Sources
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