- InChI
- InChI=1S/C21H29F3O4/c1-2-3-4-5-6-10-16-27-18(25)14-11-15-19(26)28-20(21(22,23)24)17-12-8-7-9-13-17/h7-9,12-13,20H,2-6,10-11,14-16H2,1H3
- InChI Key
- WODPYFGQPUGXNU-UHFFFAOYSA-N
- Formula
- C21H29F3O4
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)OC(c1ccc
cc1)C(F)(F)F - Molecular Weight1
- 402.45
- 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 | 0.9467 | Relay (1.0) Calculated Property | |
| ΔfG° | -813.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1502.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.907 | Crippen Calculated Property | |
| McVol | 303.180 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | 2378.00 | NIST | |
| Tboil | 626.35 | K | Relay (1.0) Calculated Property |
| Tc | 801.78 | K | Relay (1.0) Calculated Property |
| Tfus | 291.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.112 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [960.99; 1038.57] | J/mol×K | [853.28; 1048.99] | 
|
| Cp,gas | 960.99 | J/mol×K | 853.28 | Joback Calculated Property |
| Cp,gas | 976.51 | J/mol×K | 885.90 | Joback Calculated Property |
| Cp,gas | 990.94 | J/mol×K | 918.52 | Joback Calculated Property |
| Cp,gas | 1004.31 | J/mol×K | 951.13 | Joback Calculated Property |
| Cp,gas | 1016.67 | J/mol×K | 983.75 | Joback Calculated Property |
| Cp,gas | 1028.08 | J/mol×K | 1016.37 | Joback Calculated Property |
| Cp,gas | 1038.57 | J/mol×K | 1048.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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