- InChI
- InChI=1S/C25H29F3O4/c1-2-3-4-5-6-7-12-17-31-23(29)20-14-9-10-15-21(20)24(30)32-18-19-13-8-11-16-22(19)25(26,27)28/h8-11,13-16H,2-7,12,17-18H2,1H3
- InChI Key
- WBGUUMYESCEYLN-UHFFFAOYSA-N
- Formula
- C25H29F3O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
c1ccccc1C(F)(F)F - Molecular Weight1
- 450.49
- Other Names
-
- Phthalic acid, nonyl 2-trifluorobenzyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0874 | Relay (1.0) Calculated Property | |
| ΔfG° | -684.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1305.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.970 | Crippen Calculated Property | |
| McVol | 335.780 | ml/mol | McGowan Calculated Property |
| Pc | 1103.74 | kPa | Joback Calculated Property |
| Inp | 2809.00 | NIST | |
| Tboil | 689.44 | K | Relay (1.0) Calculated Property |
| Tc | 911.60 | K | Relay (1.0) Calculated Property |
| Tfus | 296.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.242 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.75; 1161.93] | J/mol×K | [981.88; 1203.08] | 
|
| Cp,gas | 1096.75 | J/mol×K | 981.88 | Joback Calculated Property |
| Cp,gas | 1110.54 | J/mol×K | 1018.75 | Joback Calculated Property |
| Cp,gas | 1123.05 | J/mol×K | 1055.61 | Joback Calculated Property |
| Cp,gas | 1134.38 | J/mol×K | 1092.48 | Joback Calculated Property |
| Cp,gas | 1144.58 | J/mol×K | 1129.35 | Joback Calculated Property |
| Cp,gas | 1153.74 | J/mol×K | 1166.22 | Joback Calculated Property |
| Cp,gas | 1161.93 | J/mol×K | 1203.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, nonyl 2-trifluoromethylbenzyl ester.
Sources
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