- InChI
- InChI=1S/C19H24F6O2/c1-2-3-4-5-6-7-8-9-12-27-17(26)15-13-14(18(20,21)22)10-11-16(15)19(23,24)25/h10-11,13H,2-9,12H2,1H3
- InChI Key
- YOQGEDMRMPFMJY-UHFFFAOYSA-N
- Formula
- C19H24F6O2
- SMILES
-
CCCCCCCCCCOC(=O)c1cc(C(F)(F)F)
ccc1C(F)(F)F - Molecular Weight1
- 398.38
- 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° | -1194.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1660.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.15 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 7.022 | Crippen Calculated Property | |
| McVol | 272.870 | ml/mol | McGowan Calculated Property |
| Pc | 1167.22 | kPa | Joback Calculated Property |
| Inp | 1846.00 | NIST | |
| Tboil | 736.21 | K | Joback Calculated Property |
| Tc | 911.61 | K | Joback Calculated Property |
| Tfus | 435.89 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [817.50; 897.28] | J/mol×K | [736.21; 911.61] | 
|
| Cp,gas | 817.50 | J/mol×K | 736.21 | Joback Calculated Property |
| Cp,gas | 832.87 | J/mol×K | 765.44 | Joback Calculated Property |
| Cp,gas | 847.35 | J/mol×K | 794.68 | Joback Calculated Property |
| Cp,gas | 860.99 | J/mol×K | 823.91 | Joback Calculated Property |
| Cp,gas | 873.82 | J/mol×K | 853.15 | Joback Calculated Property |
| Cp,gas | 885.90 | J/mol×K | 882.38 | Joback Calculated Property |
| Cp,gas | 897.28 | J/mol×K | 911.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, decyl ester.
Sources
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