- InChI
- InChI=1S/C11H11Cl3O2/c12-11(13,14)8-16-10(15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
- InChI Key
- ZUBQPTWQWDFBQU-UHFFFAOYSA-N
- Formula
- C11H11Cl3O2
- SMILES
- O=C(CCc1ccccc1)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 281.56
- CAS
- 23522-65-8
- Other Names
-
- 3-Phenylpropionic acid, 2,2,2-trichloroethyl ester
- 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° | -112.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 186.250 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 663.11 | K | Joback Calculated Property |
| Tc | 896.34 | K | Joback Calculated Property |
| Tfus | 404.49 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.42; 484.81] | J/mol×K | [663.11; 896.34] | 
|
| Cp,gas | 426.42 | J/mol×K | 663.11 | Joback Calculated Property |
| Cp,gas | 438.43 | J/mol×K | 701.98 | Joback Calculated Property |
| Cp,gas | 449.44 | J/mol×K | 740.85 | Joback Calculated Property |
| Cp,gas | 459.52 | J/mol×K | 779.72 | Joback Calculated Property |
| Cp,gas | 468.73 | J/mol×K | 818.59 | Joback Calculated Property |
| Cp,gas | 477.14 | J/mol×K | 857.47 | Joback Calculated Property |
| Cp,gas | 484.81 | J/mol×K | 896.34 | Joback Calculated Property |
| η | [0.0001428; 0.0015947] | Pa×s | [404.49; 663.11] |
|
| η | 0.0015947 | Pa×s | 404.49 | Joback Calculated Property |
| η | 0.0008789 | Pa×s | 447.59 | Joback Calculated Property |
| η | 0.0005378 | Pa×s | 490.70 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 533.80 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 576.90 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 620.01 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 663.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl «beta»-phenylpropionate.
Sources
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