- InChI
- InChI=1S/C19H25F3O4/c1-4-7-12-25-16(23)18(5-2,6-3)17(24)26-13-14-8-10-15(11-9-14)19(20,21)22/h8-11H,4-7,12-13H2,1-3H3
- InChI Key
- KRROYZMYKLBHTH-UHFFFAOYSA-N
- Formula
- C19H25F3O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCc1cc
c(C(F)(F)F)cc1 - 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 | 0.8073 | Relay (1.0) Calculated Property | |
| ΔfG° | -834.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1428.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.898 | Crippen Calculated Property | |
| McVol | 275.000 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | 1945.00 | NIST | |
| Tboil | 596.35 | K | Relay (1.0) Calculated Property |
| Tc | 794.43 | K | Relay (1.0) Calculated Property |
| Tfus | 309.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.990 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.20; 918.99] | J/mol×K | [809.71; 1005.97] | 
|
| Cp,gas | 844.20 | J/mol×K | 809.71 | Joback Calculated Property |
| Cp,gas | 859.06 | J/mol×K | 842.42 | Joback Calculated Property |
| Cp,gas | 872.89 | J/mol×K | 875.13 | Joback Calculated Property |
| Cp,gas | 885.74 | J/mol×K | 907.84 | Joback Calculated Property |
| Cp,gas | 897.68 | J/mol×K | 940.55 | Joback Calculated Property |
| Cp,gas | 908.74 | J/mol×K | 973.26 | Joback Calculated Property |
| Cp,gas | 918.99 | J/mol×K | 1005.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester.
Sources
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