- InChI
- InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
- InChI Key
- ABFRBTDJEKZSRM-UHFFFAOYSA-N
- Formula
- C8H7Cl3O
- SMILES
- OC(c1ccccc1)C(Cl)(Cl)Cl
- Molecular Weight1
- 225.50
- CAS
- 2000-43-3
- Other Names
-
- Benzenemethanol, «alpha»-(trichloromethyl)-
- «alpha»-(Trichloromethyl)benzyl alcohol
- Benzyl alcohol, «alpha»-(trichloromethyl)-
- Efiran 99
- Phenyl(trichloromethyl)carbinol
- 1-Phenyl-2,2,2-trichloroethanol
- «alpha»-(Trichloromethyl)benzenemethanol
- Trichloromethylphenyl carbinol
- NSC 2796
- 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).
- 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° | -43.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 142.410 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Tboil | 609.92 | K | Joback Calculated Property |
| Tc | 838.14 | K | Joback Calculated Property |
| Tfus | 344.34 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.33; 339.52] | J/mol×K | [609.92; 838.14] | 
|
| Cp,gas | 296.33 | J/mol×K | 609.92 | Joback Calculated Property |
| Cp,gas | 305.36 | J/mol×K | 647.96 | Joback Calculated Property |
| Cp,gas | 313.56 | J/mol×K | 685.99 | Joback Calculated Property |
| Cp,gas | 321.00 | J/mol×K | 724.03 | Joback Calculated Property |
| Cp,gas | 327.76 | J/mol×K | 762.07 | Joback Calculated Property |
| Cp,gas | 333.91 | J/mol×K | 800.11 | Joback Calculated Property |
| Cp,gas | 339.52 | J/mol×K | 838.14 | Joback Calculated Property |
| η | [0.0000772; 0.0074050] | Pa×s | [344.34; 609.92] |
|
| η | 0.0074050 | Pa×s | 344.34 | Joback Calculated Property |
| η | 0.0022441 | Pa×s | 388.60 | Joback Calculated Property |
| η | 0.0008682 | Pa×s | 432.87 | Joback Calculated Property |
| η | 0.0004006 | Pa×s | 477.13 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 521.39 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 565.66 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 609.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-1-phenylethanol.
Sources
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