- InChI
- InChI=1S/C27H40F6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-35-25(34)23-21-22(26(28,29)30)18-19-24(23)27(31,32)33/h18-19,21H,2-17,20H2,1H3
- InChI Key
- CFGLSOQDGACDGX-UHFFFAOYSA-N
- Formula
- C27H40F6O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cc(C
(F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 510.60
- 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° | -1127.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1825.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.96 | kJ/mol | Joback Calculated Property |
| log10WS | -11.04 | Crippen Calculated Property | |
| logPoct/wat | 10.143 | Crippen Calculated Property | |
| McVol | 385.590 | ml/mol | McGowan Calculated Property |
| Pc | 732.44 | kPa | Joback Calculated Property |
| Inp | 2611.00 | NIST | |
| Tboil | 919.25 | K | Joback Calculated Property |
| Tc | 1129.63 | K | Joback Calculated Property |
| Tfus | 526.05 | K | Joback Calculated Property |
| Vc | 1.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1297.69; 1397.46] | J/mol×K | [919.25; 1129.63] | 
|
| Cp,gas | 1297.69 | J/mol×K | 919.25 | Joback Calculated Property |
| Cp,gas | 1317.12 | J/mol×K | 954.31 | Joback Calculated Property |
| Cp,gas | 1335.29 | J/mol×K | 989.38 | Joback Calculated Property |
| Cp,gas | 1352.30 | J/mol×K | 1024.44 | Joback Calculated Property |
| Cp,gas | 1368.26 | J/mol×K | 1059.51 | Joback Calculated Property |
| Cp,gas | 1383.28 | J/mol×K | 1094.57 | Joback Calculated Property |
| Cp,gas | 1397.46 | J/mol×K | 1129.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, octadecyl ester.
Sources
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