- InChI
- InChI=1S/C16H16F6O2/c17-15(18,19)11-6-7-13(16(20,21)22)12(8-11)14(23)24-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
- InChI Key
- XMTSLUJPILXFKS-UHFFFAOYSA-N
- Formula
- C16H16F6O2
- SMILES
-
O=C(OCC1CCCCC1)c1cc(C(F)(F)F)c
cc1C(F)(F)F - Molecular Weight1
- 354.29
- 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° | -1195.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1544.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.461 | Crippen Calculated Property | |
| McVol | 219.740 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | 1614.00 | NIST | |
| Tboil | 687.12 | K | Joback Calculated Property |
| Tc | 884.14 | K | Joback Calculated Property |
| Tfus | 409.46 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.08; 725.90] | J/mol×K | [687.12; 884.14] | 
|
| Cp,gas | 645.08 | J/mol×K | 687.12 | Joback Calculated Property |
| Cp,gas | 661.25 | J/mol×K | 719.96 | Joback Calculated Property |
| Cp,gas | 676.26 | J/mol×K | 752.79 | Joback Calculated Property |
| Cp,gas | 690.17 | J/mol×K | 785.63 | Joback Calculated Property |
| Cp,gas | 703.04 | J/mol×K | 818.46 | Joback Calculated Property |
| Cp,gas | 714.93 | J/mol×K | 851.30 | Joback Calculated Property |
| Cp,gas | 725.90 | J/mol×K | 884.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl ester.
Sources
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