- InChI
- InChI=1S/C14H7Cl2F3O2/c15-11-6-5-8(7-12(11)16)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H
- InChI Key
- ARUYKWLNOSAXED-UHFFFAOYSA-N
- Formula
- C14H7Cl2F3O2
- SMILES
-
O=C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
C(F)(F)F - Molecular Weight1
- 335.11
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -576.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 5.231 | Crippen Calculated Property | |
| McVol | 197.830 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | 1966.00 | NIST | |
| Tboil | 733.75 | K | Joback Calculated Property |
| Tc | 965.13 | K | Joback Calculated Property |
| Tfus | 474.13 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.25; 536.94] | J/mol×K | [733.75; 965.13] | 
|
| Cp,gas | 486.25 | J/mol×K | 733.75 | Joback Calculated Property |
| Cp,gas | 496.93 | J/mol×K | 772.31 | Joback Calculated Property |
| Cp,gas | 506.63 | J/mol×K | 810.88 | Joback Calculated Property |
| Cp,gas | 515.43 | J/mol×K | 849.44 | Joback Calculated Property |
| Cp,gas | 523.37 | J/mol×K | 888.01 | Joback Calculated Property |
| Cp,gas | 530.52 | J/mol×K | 926.57 | Joback Calculated Property |
| Cp,gas | 536.94 | J/mol×K | 965.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester.
Sources
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