- InChI
- InChI=1S/C24H27F3O4/c1-2-3-4-5-6-11-16-30-22(28)19-13-8-9-14-20(19)23(29)31-17-18-12-7-10-15-21(18)24(25,26)27/h7-10,12-15H,2-6,11,16-17H2,1H3
- InChI Key
- FGZGWOYHPATIGC-UHFFFAOYSA-N
- Formula
- C24H27F3O4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1ccccc1C(F)(F)F - Molecular Weight1
- 436.46
- Other Names
-
- Phthalic acid, octyl 2-trifluorobenzyl ester
- 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° | -692.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1175.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.46 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 6.580 | Crippen Calculated Property | |
| McVol | 321.690 | ml/mol | McGowan Calculated Property |
| Pc | 1177.66 | kPa | Joback Calculated Property |
| Inp | [2710.00; 2710.00] |
|
|
| Inp | 2710.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Tboil | 959.00 | K | Joback Calculated Property |
| Tc | 1176.98 | K | Joback Calculated Property |
| Tfus | 586.63 | K | Joback Calculated Property |
| Vc | 1.254 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.86; 1101.28] | J/mol×K | [959.00; 1176.98] |
|
| Cp,gas | 1036.86 | J/mol×K | 959.00 | Joback Calculated Property |
| Cp,gas | 1050.44 | J/mol×K | 995.33 | Joback Calculated Property |
| Cp,gas | 1062.79 | J/mol×K | 1031.66 | Joback Calculated Property |
| Cp,gas | 1073.99 | J/mol×K | 1067.99 | Joback Calculated Property |
| Cp,gas | 1084.09 | J/mol×K | 1104.32 | Joback Calculated Property |
| Cp,gas | 1093.16 | J/mol×K | 1140.65 | Joback Calculated Property |
| Cp,gas | 1101.28 | J/mol×K | 1176.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl 2-trifluoromethylbenzyl ester.
Sources
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