- InChI
- InChI=1S/C16H19F3O4/c1-4-9-22-14(20)16(5-2,6-3)15(21)23-11-8-7-10(17)12(18)13(11)19/h7-8H,4-6,9H2,1-3H3
- InChI Key
- LIQQNYMGGFIYPE-UHFFFAOYSA-N
- Formula
- C16H19F3O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(
F)c(F)c1F - Molecular Weight1
- 332.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -882.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1258.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| McVol | 232.730 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | 1740.00 | NIST | |
| Tboil | 754.26 | K | Joback Calculated Property |
| Tc | 946.60 | K | Joback Calculated Property |
| Tfus | 482.57 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.04; 740.89] | J/mol×K | [754.26; 946.60] | 
|
| Cp,gas | 672.04 | J/mol×K | 754.26 | Joback Calculated Property |
| Cp,gas | 685.63 | J/mol×K | 786.32 | Joback Calculated Property |
| Cp,gas | 698.35 | J/mol×K | 818.37 | Joback Calculated Property |
| Cp,gas | 710.22 | J/mol×K | 850.43 | Joback Calculated Property |
| Cp,gas | 721.25 | J/mol×K | 882.48 | Joback Calculated Property |
| Cp,gas | 731.47 | J/mol×K | 914.54 | Joback Calculated Property |
| Cp,gas | 740.89 | J/mol×K | 946.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester.
Sources
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