- InChI
- InChI=1S/C15H11Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
- InChI Key
- NBCATOXCSOXZTK-UHFFFAOYSA-N
- Formula
- C15H11Cl3O2
- SMILES
-
O=C(CCc1ccccc1)Oc1cc(Cl)c(Cl)c
c1Cl - Molecular Weight1
- 329.61
- 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° | 1.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 218.850 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 799.48 | K | Joback Calculated Property |
| Tc | 1046.25 | K | Joback Calculated Property |
| Tfus | 511.13 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.35; 586.75] | J/mol×K | [799.48; 1046.25] |
|
| Cp,gas | 533.35 | J/mol×K | 799.48 | Joback Calculated Property |
| Cp,gas | 544.78 | J/mol×K | 840.61 | Joback Calculated Property |
| Cp,gas | 555.13 | J/mol×K | 881.74 | Joback Calculated Property |
| Cp,gas | 564.46 | J/mol×K | 922.87 | Joback Calculated Property |
| Cp,gas | 572.81 | J/mol×K | 964.00 | Joback Calculated Property |
| Cp,gas | 580.23 | J/mol×K | 1005.12 | Joback Calculated Property |
| Cp,gas | 586.75 | J/mol×K | 1046.25 | Joback Calculated Property |
| η | [0.0001026; 0.0006067] | Pa×s | [511.13; 799.48] |
|
| η | 0.0006067 | Pa×s | 511.13 | Joback Calculated Property |
| η | 0.0003973 | Pa×s | 559.19 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 607.25 | Joback Calculated Property |
| η | 0.0002052 | Pa×s | 655.31 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 703.36 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 751.42 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 799.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2,4,5-trichlorophenyl ester.
Sources
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