- InChI
- InChI=1S/C4H5Cl3O3/c1-10-3(9)2(8)4(5,6)7/h2,8H,1H3
- InChI Key
- ZJUDLWOAOKTCQH-UHFFFAOYSA-N
- Formula
- C4H5Cl3O3
- SMILES
- COC(=O)C(O)C(Cl)(Cl)Cl
- Molecular Weight1
- 207.44
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 | 0.5175 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.891 | Crippen Calculated Property | |
| McVol | 117.250 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 470.13 | K | Relay (1.0) Calculated Property |
| Tc | 695.70 | K | Relay (1.0) Calculated Property |
| Tfus | 300.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.94; 259.57] | J/mol×K | [568.01; 772.13] | 
|
| Cp,gas | 229.94 | J/mol×K | 568.01 | Joback Calculated Property |
| Cp,gas | 235.89 | J/mol×K | 602.03 | Joback Calculated Property |
| Cp,gas | 241.40 | J/mol×K | 636.05 | Joback Calculated Property |
| Cp,gas | 246.51 | J/mol×K | 670.07 | Joback Calculated Property |
| Cp,gas | 251.23 | J/mol×K | 704.09 | Joback Calculated Property |
| Cp,gas | 255.58 | J/mol×K | 738.11 | Joback Calculated Property |
| Cp,gas | 259.57 | J/mol×K | 772.13 | Joback Calculated Property |
| η | [0.0001178; 0.0068244] | Pa×s | [345.00; 568.01] |
|
| η | 0.0068244 | Pa×s | 345.00 | Joback Calculated Property |
| η | 0.0024965 | Pa×s | 382.17 | Joback Calculated Property |
| η | 0.0010915 | Pa×s | 419.34 | Joback Calculated Property |
| η | 0.0005460 | Pa×s | 456.50 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 493.67 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 530.84 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 568.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,3,3-trichloro-2-hydroxypropanoate.
Sources
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