- InChI
- InChI=1S/C26H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-21-32-23(30)19-16-20-24(31)33-25(26(27,28)29)22-17-13-12-14-18-22/h12-14,17-18,25H,2-11,15-16,19-21H2,1H3
- InChI Key
- ZMRVZELXFBOKQT-UHFFFAOYSA-N
- Formula
- C26H39F3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OC(
c1ccccc1)C(F)(F)F - Molecular Weight1
- 472.58
- 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 | 1.1316 | Relay (1.0) Calculated Property | |
| ΔfG° | -771.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1597.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.858 | Crippen Calculated Property | |
| McVol | 373.630 | ml/mol | McGowan Calculated Property |
| Pc | 865.56 | kPa | Joback Calculated Property |
| Inp | 2891.00 | NIST | |
| Tboil | 666.09 | K | Relay (1.0) Calculated Property |
| Tc | 845.97 | K | Relay (1.0) Calculated Property |
| Tfus | 309.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1265.02; 1349.36] | J/mol×K | [967.68; 1186.64] | 
|
| Cp,gas | 1265.02 | J/mol×K | 967.68 | Joback Calculated Property |
| Cp,gas | 1282.33 | J/mol×K | 1004.17 | Joback Calculated Property |
| Cp,gas | 1298.23 | J/mol×K | 1040.67 | Joback Calculated Property |
| Cp,gas | 1312.80 | J/mol×K | 1077.16 | Joback Calculated Property |
| Cp,gas | 1326.12 | J/mol×K | 1113.65 | Joback Calculated Property |
| Cp,gas | 1338.28 | J/mol×K | 1150.14 | Joback Calculated Property |
| Cp,gas | 1349.36 | J/mol×K | 1186.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester.
Sources
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