- InChI
- InChI=1S/C25H29F3O5/c1-2-3-4-5-6-7-10-17-31-23(29)21-11-8-9-12-22(21)24(30)32-18-19-13-15-20(16-14-19)33-25(26,27)28/h8-9,11-16H,2-7,10,17-18H2,1H3
- InChI Key
- PZQNPQLQYQBDAZ-UHFFFAOYSA-N
- Formula
- C25H29F3O5
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
c1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 466.49
- 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° | -789.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1328.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.09 | kJ/mol | Joback Calculated Property |
| log10WS | -8.69 | Crippen Calculated Property | |
| logPoct/wat | 6.850 | Crippen Calculated Property | |
| McVol | 341.650 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | 2781.00 | NIST | |
| Tboil | 1004.30 | K | Joback Calculated Property |
| Tc | 1229.67 | K | Joback Calculated Property |
| Tfus | 620.13 | K | Joback Calculated Property |
| Vc | 1.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.76; 1181.01] | J/mol×K | [1004.30; 1229.67] | 
|
| Cp,gas | 1123.76 | J/mol×K | 1004.30 | Joback Calculated Property |
| Cp,gas | 1136.70 | J/mol×K | 1041.86 | Joback Calculated Property |
| Cp,gas | 1148.19 | J/mol×K | 1079.42 | Joback Calculated Property |
| Cp,gas | 1158.31 | J/mol×K | 1116.98 | Joback Calculated Property |
| Cp,gas | 1167.11 | J/mol×K | 1154.55 | Joback Calculated Property |
| Cp,gas | 1174.66 | J/mol×K | 1192.11 | Joback Calculated Property |
| Cp,gas | 1181.01 | J/mol×K | 1229.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, nonyl 4-trifluoromethoxybenzyl ester.
Sources
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