- InChI
- InChI=1S/C19H25F3O4/c1-2-3-4-8-14-25-16(23)12-9-13-17(24)26-18(19(20,21)22)15-10-6-5-7-11-15/h5-7,10-11,18H,2-4,8-9,12-14H2,1H3
- InChI Key
- WNANFOOTMKQXMW-UHFFFAOYSA-N
- Formula
- C19H25F3O4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OC(c1ccccc
1)C(F)(F)F - Molecular Weight1
- 374.39
- 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 | 0.8665 | Relay (1.0) Calculated Property | |
| ΔfG° | -830.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1464.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.127 | Crippen Calculated Property | |
| McVol | 275.000 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | 2179.00 | NIST | |
| Tboil | 606.44 | K | Relay (1.0) Calculated Property |
| Tc | 782.25 | K | Relay (1.0) Calculated Property |
| Tfus | 284.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.004 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.07; 919.25] | J/mol×K | [807.52; 999.89] | 
|
| Cp,gas | 844.07 | J/mol×K | 807.52 | Joback Calculated Property |
| Cp,gas | 859.03 | J/mol×K | 839.58 | Joback Calculated Property |
| Cp,gas | 872.97 | J/mol×K | 871.64 | Joback Calculated Property |
| Cp,gas | 885.93 | J/mol×K | 903.70 | Joback Calculated Property |
| Cp,gas | 897.93 | J/mol×K | 935.77 | Joback Calculated Property |
| Cp,gas | 909.03 | J/mol×K | 967.83 | Joback Calculated Property |
| Cp,gas | 919.25 | J/mol×K | 999.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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