- InChI
- InChI=1S/C33H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-39-31(37)28-22-17-18-23-29(28)32(38)40-26-27-21-16-19-24-30(27)33(34,35)36/h16-19,21-24H,2-15,20,25-26H2,1H3
- InChI Key
- AXDJHVSGGHGZHO-UHFFFAOYSA-N
- Formula
- C33H45F3O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)OCc1ccccc1C(F)(F)F - Molecular Weight1
- 562.70
- Other Names
-
- Phthalic acid, heptadecyl 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° | -616.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1361.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.49 | kJ/mol | Joback Calculated Property |
| log10WS | -11.87 | Crippen Calculated Property | |
| logPoct/wat | 10.091 | Crippen Calculated Property | |
| McVol | 448.500 | ml/mol | McGowan Calculated Property |
| Pc | 700.61 | kPa | Joback Calculated Property |
| Inp | 3617.00 | NIST | |
| Tboil | 1164.92 | K | Joback Calculated Property |
| Tc | 1454.14 | K | Joback Calculated Property |
| Tfus | 688.06 | K | Joback Calculated Property |
| Vc | 1.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1591.42; 1668.12] | J/mol×K | [1164.92; 1454.14] | 
|
| Cp,gas | 1591.42 | J/mol×K | 1164.92 | Joback Calculated Property |
| Cp,gas | 1608.20 | J/mol×K | 1213.12 | Joback Calculated Property |
| Cp,gas | 1623.07 | J/mol×K | 1261.33 | Joback Calculated Property |
| Cp,gas | 1636.27 | J/mol×K | 1309.53 | Joback Calculated Property |
| Cp,gas | 1648.03 | J/mol×K | 1357.73 | Joback Calculated Property |
| Cp,gas | 1658.57 | J/mol×K | 1405.94 | Joback Calculated Property |
| Cp,gas | 1668.12 | J/mol×K | 1454.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptadecyl 2-trifluoromethylbenzyl ester.
Sources
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