- InChI
- InChI=1S/C24H27F3O5/c1-2-3-4-5-6-9-16-30-22(28)20-10-7-8-11-21(20)23(29)31-17-18-12-14-19(15-13-18)32-24(25,26)27/h7-8,10-15H,2-6,9,16-17H2,1H3
- InChI Key
- NGDMSOPDFDTKPR-UHFFFAOYSA-N
- Formula
- C24H27F3O5
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 452.46
- 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° | -797.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1307.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 6.460 | Crippen Calculated Property | |
| McVol | 327.560 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [2678.00; 2678.00] |
|
|
| Inp | 2678.00 | NIST | |
| Inp | 2678.00 | NIST | |
| Tboil | 981.42 | K | Joback Calculated Property |
| Tc | 1202.69 | K | Joback Calculated Property |
| Tfus | 608.86 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.98; 1121.20] | J/mol×K | [981.42; 1202.69] |
|
| Cp,gas | 1063.98 | J/mol×K | 981.42 | Joback Calculated Property |
| Cp,gas | 1076.77 | J/mol×K | 1018.30 | Joback Calculated Property |
| Cp,gas | 1088.19 | J/mol×K | 1055.18 | Joback Calculated Property |
| Cp,gas | 1098.28 | J/mol×K | 1092.05 | Joback Calculated Property |
| Cp,gas | 1107.12 | J/mol×K | 1128.93 | Joback Calculated Property |
| Cp,gas | 1114.74 | J/mol×K | 1165.81 | Joback Calculated Property |
| Cp,gas | 1121.20 | J/mol×K | 1202.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl 4-trifluoromethoxybenzyl ester.
Sources
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