- InChI
- InChI=1S/C17H20F6O2/c1-3-5-6-11(4-2)10-25-15(24)13-9-12(16(18,19)20)7-8-14(13)17(21,22)23/h7-9,11H,3-6,10H2,1-2H3
- InChI Key
- SHOZCBZKTNDEAX-UHFFFAOYSA-N
- Formula
- C17H20F6O2
- SMILES
-
CCCCC(CC)COC(=O)c1cc(C(F)(F)F)
ccc1C(F)(F)F - Molecular Weight1
- 370.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7773 | Relay (1.0) Calculated Property | |
| ΔfG° | -1214.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1726.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.097 | Crippen Calculated Property | |
| McVol | 244.690 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | 1575.00 | NIST | |
| Tboil | 562.83 | K | Relay (1.0) Calculated Property |
| Tc | 759.13 | K | Relay (1.0) Calculated Property |
| Tfus | 280.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.70; 783.31] | J/mol×K | [690.01; 865.87] | 
|
| Cp,gas | 706.70 | J/mol×K | 690.01 | Joback Calculated Property |
| Cp,gas | 721.52 | J/mol×K | 719.32 | Joback Calculated Property |
| Cp,gas | 735.46 | J/mol×K | 748.63 | Joback Calculated Property |
| Cp,gas | 748.57 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 760.88 | J/mol×K | 807.25 | Joback Calculated Property |
| Cp,gas | 772.45 | J/mol×K | 836.56 | Joback Calculated Property |
| Cp,gas | 783.31 | J/mol×K | 865.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-ethylhexyl ester.
Sources
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