- InChI
- InChI=1S/C4H3Cl3OS/c1-8-4(9)2(5)3(6)7/h1H3
- InChI Key
- WUEKZQWKWJIUPB-UHFFFAOYSA-N
- Formula
- C4H3Cl3OS
- SMILES
- COC(=S)C(Cl)=C(Cl)Cl
- Molecular Weight1
- 205.49
- CAS
- 76619-91-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.846 | Crippen Calculated Property | |
| McVol | 117.560 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| S°liquid | 324.30 | J/mol×K | NIST |
| Tboil | 499.59 | K | Joback Calculated Property |
| Tc | 737.29 | K | Joback Calculated Property |
| Tfus | 248.10 | K | Joback Calculated Property |
| Ttriple | 286.25 ± 0.02 | K | NIST |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.13; 212.80] | J/mol×K | [499.59; 737.29] | 
|
| Cp,gas | 186.13 | J/mol×K | 499.59 | Joback Calculated Property |
| Cp,gas | 191.74 | J/mol×K | 539.21 | Joback Calculated Property |
| Cp,gas | 196.80 | J/mol×K | 578.82 | Joback Calculated Property |
| Cp,gas | 201.38 | J/mol×K | 618.44 | Joback Calculated Property |
| Cp,gas | 205.53 | J/mol×K | 658.06 | Joback Calculated Property |
| Cp,gas | 209.31 | J/mol×K | 697.67 | Joback Calculated Property |
| Cp,gas | 212.80 | J/mol×K | 737.29 | Joback Calculated Property |
| Cp,liquid | 244.90 | J/mol×K | 298.15 | NIST |
| ΔfusH | 20.37 | kJ/mol | 286.25 | NIST |
| ΔvapH | 64.80 | kJ/mol | 403.00 | NIST |
| ΔfusS | 71.20 | J/mol×K | 286.25 | NIST |
Similar Compounds
Find more compounds similar to Methyl trichlorothioacrylate.
Sources
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