- 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).
- 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 | 0.5175 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -660.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.891 | Crippen Calculated Property | |
| McVol | 117.250 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Inp | [1104.00; 1104.00] |
|
|
| Inp | 1104.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Tboil | 470.13 | K | Relay (1.0) Calculated Property |
| Tc | 693.73 | K | Relay (1.0) Calculated Property |
| Tfus | 303.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.405 | 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 | [229.72; 260.16] | J/mol×K | [550.14; 751.79] |
|
| Cp,gas | 229.72 | J/mol×K | 550.14 | Joback Calculated Property |
| Cp,gas | 235.93 | J/mol×K | 583.75 | Joback Calculated Property |
| Cp,gas | 241.65 | J/mol×K | 617.36 | Joback Calculated Property |
| Cp,gas | 246.92 | J/mol×K | 650.96 | Joback Calculated Property |
| Cp,gas | 251.75 | J/mol×K | 684.57 | Joback Calculated Property |
| Cp,gas | 256.16 | J/mol×K | 718.18 | Joback Calculated Property |
| Cp,gas | 260.16 | J/mol×K | 751.79 | Joback Calculated Property |
| η | [0.0001193; 0.0154434] | Pa×s | [315.17; 550.14] |
|
| η | 0.0154434 | Pa×s | 315.17 | Joback Calculated Property |
| η | 0.0043873 | Pa×s | 354.33 | Joback Calculated Property |
| η | 0.0016012 | Pa×s | 393.49 | Joback Calculated Property |
| η | 0.0007013 | Pa×s | 432.65 | Joback Calculated Property |
| η | 0.0003523 | Pa×s | 471.82 | Joback Calculated Property |
| η | 0.0001967 | Pa×s | 510.98 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 550.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,3,3-trichloro-2-hydroxypropanoate.
Sources
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