- InChI
- InChI=1S/C3H5Cl3O/c1-7-2-3(4,5)6/h2H2,1H3
- InChI Key
- NZZHHOMCJICYCD-UHFFFAOYSA-N
- Formula
- C3H5Cl3O
- SMILES
- COCC(Cl)(Cl)Cl
- Molecular Weight1
- 163.43
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 9.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.003 | Crippen Calculated Property | |
| McVol | 95.720 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Inp | 872.50 | NIST | |
| Tboil | 406.71 | K | Relay (1.0) Calculated Property |
| Tc | 600.82 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [151.06; 184.23] | J/mol×K | [399.52; 604.26] | 
|
| Cp,gas | 151.06 | J/mol×K | 399.52 | Joback Calculated Property |
| Cp,gas | 157.54 | J/mol×K | 433.64 | Joback Calculated Property |
| Cp,gas | 163.61 | J/mol×K | 467.77 | Joback Calculated Property |
| Cp,gas | 169.30 | J/mol×K | 501.89 | Joback Calculated Property |
| Cp,gas | 174.62 | J/mol×K | 536.01 | Joback Calculated Property |
| Cp,gas | 179.59 | J/mol×K | 570.13 | Joback Calculated Property |
| Cp,gas | 184.23 | J/mol×K | 604.26 | Joback Calculated Property |
| η | [0.0003834; 0.0046556] | Pa×s | [237.98; 399.52] |
|
| η | 0.0046556 | Pa×s | 237.98 | Joback Calculated Property |
| η | 0.0024855 | Pa×s | 264.90 | Joback Calculated Property |
| η | 0.0014899 | Pa×s | 291.83 | Joback Calculated Property |
| η | 0.0009737 | Pa×s | 318.75 | Joback Calculated Property |
| η | 0.0006800 | Pa×s | 345.67 | Joback Calculated Property |
| η | 0.0005001 | Pa×s | 372.60 | Joback Calculated Property |
| η | 0.0003834 | Pa×s | 399.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethanol, methyl ether.
Sources
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