- InChI
- InChI=1S/C4H5Cl3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3
- InChI Key
- FBMIRDYZKMXRFO-UHFFFAOYSA-N
- Formula
- C4H5Cl3O2
- SMILES
- COC(=O)CC(Cl)(Cl)Cl
- Molecular Weight1
- 191.44
- CAS
- 20618-02-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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° | -284.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.51 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.920 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | [1015.00; 1018.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Tboil | 476.27 | K | Joback Calculated Property |
| Tc | 690.53 | K | Joback Calculated Property |
| Tfus | 299.18 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.64; 231.19] | J/mol×K | [476.27; 690.53] |
|
| Cp,gas | 195.64 | J/mol×K | 476.27 | Joback Calculated Property |
| Cp,gas | 202.69 | J/mol×K | 511.98 | Joback Calculated Property |
| Cp,gas | 209.27 | J/mol×K | 547.69 | Joback Calculated Property |
| Cp,gas | 215.39 | J/mol×K | 583.40 | Joback Calculated Property |
| Cp,gas | 221.07 | J/mol×K | 619.11 | Joback Calculated Property |
| Cp,gas | 226.33 | J/mol×K | 654.82 | Joback Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 690.53 | Joback Calculated Property |
| η | [0.0003575; 0.0033897] | Pa×s | [299.18; 476.27] |
|
| η | 0.0033897 | Pa×s | 299.18 | Joback Calculated Property |
| η | 0.0019690 | Pa×s | 328.69 | Joback Calculated Property |
| η | 0.0012509 | Pa×s | 358.21 | Joback Calculated Property |
| η | 0.0008515 | Pa×s | 387.73 | Joback Calculated Property |
| η | 0.0006120 | Pa×s | 417.24 | Joback Calculated Property |
| η | 0.0004595 | Pa×s | 446.75 | Joback Calculated Property |
| η | 0.0003575 | Pa×s | 476.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3,3,3-trichloro-, methyl ester.
Sources
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