- InChI
- InChI=1S/C4H4Cl4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3
- InChI Key
- LFHGTEYJIKRWFF-UHFFFAOYSA-N
- Formula
- C4H4Cl4O2
- SMILES
- COC(=O)C(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 225.88
- CAS
- 20618-10-4
- Other Names
-
- Propanoic acid, 2,3,3,3-tetrachloro, methyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.3290 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -502.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.00 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.137 | Crippen Calculated Property | |
| McVol | 123.620 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Inp | [1131.00; 1137.00] |
|
|
| Inp | 1137.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Tboil | 470.39 | K | Relay (1.0) Calculated Property |
| Tc | 683.62 | K | Relay (1.0) Calculated Property |
| Tfus | 264.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.00; 248.99] | J/mol×K | [495.39; 717.29] |
|
| Cp,gas | 215.00 | J/mol×K | 495.39 | Joback Calculated Property |
| Cp,gas | 222.07 | J/mol×K | 532.37 | Joback Calculated Property |
| Cp,gas | 228.53 | J/mol×K | 569.36 | Joback Calculated Property |
| Cp,gas | 234.43 | J/mol×K | 606.34 | Joback Calculated Property |
| Cp,gas | 239.79 | J/mol×K | 643.32 | Joback Calculated Property |
| Cp,gas | 244.63 | J/mol×K | 680.31 | Joback Calculated Property |
| Cp,gas | 248.99 | J/mol×K | 717.29 | Joback Calculated Property |
| η | [0.0003005; 0.0064020] | Pa×s | [284.27; 495.39] |
|
| η | 0.0064020 | Pa×s | 284.27 | Joback Calculated Property |
| η | 0.0029038 | Pa×s | 319.46 | Joback Calculated Property |
| η | 0.0015408 | Pa×s | 354.64 | Joback Calculated Property |
| η | 0.0009166 | Pa×s | 389.83 | Joback Calculated Property |
| η | 0.0005943 | Pa×s | 425.02 | Joback Calculated Property |
| η | 0.0004117 | Pa×s | 460.20 | Joback Calculated Property |
| η | 0.0003005 | Pa×s | 495.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl-2,3,3,3-tetrachloropropanoate.
Sources
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