- InChI
- InChI=1S/C15H15ClF6O2/c16-7-3-1-2-4-8-24-13(23)11-9-10(14(17,18)19)5-6-12(11)15(20,21)22/h5-6,9H,1-4,7-8H2
- InChI Key
- ORIJBJXIHCZILS-UHFFFAOYSA-N
- Formula
- C15H15ClF6O2
- SMILES
-
O=C(OCCCCCCCl)c1cc(C(F)(F)F)cc
c1C(F)(F)F - Molecular Weight1
- 376.72
- 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° | -1240.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1594.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.680 | Crippen Calculated Property | |
| McVol | 228.750 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | 1762.00 | NIST | |
| Tboil | 682.12 | K | Joback Calculated Property |
| Tc | 860.85 | K | Joback Calculated Property |
| Tfus | 420.73 | K | Joback Calculated Property |
| Vc | 0.926 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.01; 693.83] | J/mol×K | [682.12; 860.85] | 
|
| Cp,gas | 628.01 | J/mol×K | 682.12 | Joback Calculated Property |
| Cp,gas | 640.86 | J/mol×K | 711.91 | Joback Calculated Property |
| Cp,gas | 652.90 | J/mol×K | 741.70 | Joback Calculated Property |
| Cp,gas | 664.18 | J/mol×K | 771.49 | Joback Calculated Property |
| Cp,gas | 674.73 | J/mol×K | 801.28 | Joback Calculated Property |
| Cp,gas | 684.60 | J/mol×K | 831.06 | Joback Calculated Property |
| Cp,gas | 693.83 | J/mol×K | 860.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 6-chlorohexyl ester.
Sources
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