- InChI
- InChI=1S/C23H25F3O4/c1-2-3-4-5-10-15-29-21(27)18-12-7-8-13-19(18)22(28)30-16-17-11-6-9-14-20(17)23(24,25)26/h6-9,11-14H,2-5,10,15-16H2,1H3
- InChI Key
- VLAUEVKFDPIJOH-UHFFFAOYSA-N
- Formula
- C23H25F3O4
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCc1
ccccc1C(F)(F)F - Molecular Weight1
- 422.44
- Other Names
-
- Phthalic acid, heptyl 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° | -701.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1154.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.190 | Crippen Calculated Property | |
| McVol | 307.600 | ml/mol | McGowan Calculated Property |
| Pc | 1259.27 | kPa | Joback Calculated Property |
| Inp | [2610.00; 2610.00] |
|
|
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 936.12 | K | Joback Calculated Property |
| Tc | 1151.80 | K | Joback Calculated Property |
| Tfus | 575.36 | K | Joback Calculated Property |
| Vc | 1.198 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.54; 1041.23] | J/mol×K | [936.12; 1151.80] |
|
| Cp,gas | 977.54 | J/mol×K | 936.12 | Joback Calculated Property |
| Cp,gas | 990.93 | J/mol×K | 972.07 | Joback Calculated Property |
| Cp,gas | 1003.13 | J/mol×K | 1008.01 | Joback Calculated Property |
| Cp,gas | 1014.19 | J/mol×K | 1043.96 | Joback Calculated Property |
| Cp,gas | 1024.19 | J/mol×K | 1079.90 | Joback Calculated Property |
| Cp,gas | 1033.18 | J/mol×K | 1115.85 | Joback Calculated Property |
| Cp,gas | 1041.23 | J/mol×K | 1151.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 2-trifluoromethylbenzyl este.
Sources
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