- InChI
- InChI=1S/C4H3Cl3O2/c1-9-4(8)2(5)3(6)7/h1H3
- InChI Key
- LUAABZPMDXDUBN-UHFFFAOYSA-N
- Formula
- C4H3Cl3O2
- SMILES
- COC(=O)C(Cl)=C(Cl)Cl
- Molecular Weight1
- 189.42
- CAS
- 17640-12-9
- Other Names
-
- Methyl 2,3,3-trichloroacrylate
- 2,3,3-Trichloropropenoic acid, methyl ester
- Methyl 2,3,3-trichloropropenoate
- Acrylic acid, trichloro-, methyl ester
- Methyl trichloroacrylate
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -223.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 107.080 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Inp | [1022.00; 1028.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1484.00; 1500.00] |
|
|
| I | 1500.00 | NIST | |
| I | 1484.00 | NIST | |
| I | 1500.00 | NIST | |
| Tboil | 483.42 | K | Joback Calculated Property |
| Tc | 702.50 | K | Joback Calculated Property |
| Tfus | 263.76 | K | Joback Calculated Property |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.88; 203.09] | J/mol×K | [483.42; 702.50] |
|
| Cp,gas | 173.88 | J/mol×K | 483.42 | Joback Calculated Property |
| Cp,gas | 179.60 | J/mol×K | 519.93 | Joback Calculated Property |
| Cp,gas | 184.96 | J/mol×K | 556.45 | Joback Calculated Property |
| Cp,gas | 189.97 | J/mol×K | 592.96 | Joback Calculated Property |
| Cp,gas | 194.66 | J/mol×K | 629.47 | Joback Calculated Property |
| Cp,gas | 199.02 | J/mol×K | 665.99 | Joback Calculated Property |
| Cp,gas | 203.09 | J/mol×K | 702.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl trichloropropenoate.
Sources
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