- InChI
- InChI=1S/C18H23F3O4/c1-4-11-24-15(22)17(5-2,6-3)16(23)25-12-13-7-9-14(10-8-13)18(19,20)21/h7-10H,4-6,11-12H2,1-3H3
- InChI Key
- GLBRVHXXQXKLQH-UHFFFAOYSA-N
- Formula
- C18H23F3O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc
(C(F)(F)F)cc1 - Molecular Weight1
- 360.37
- 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° | -843.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1285.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.508 | Crippen Calculated Property | |
| McVol | 260.910 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | 1862.00 | NIST | |
| Tboil | 786.83 | K | Joback Calculated Property |
| Tc | 983.02 | K | Joback Calculated Property |
| Tfus | 482.49 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.21; 860.67] | J/mol×K | [786.83; 983.02] | 
|
| Cp,gas | 787.21 | J/mol×K | 786.83 | Joback Calculated Property |
| Cp,gas | 801.81 | J/mol×K | 819.53 | Joback Calculated Property |
| Cp,gas | 815.40 | J/mol×K | 852.23 | Joback Calculated Property |
| Cp,gas | 828.03 | J/mol×K | 884.92 | Joback Calculated Property |
| Cp,gas | 839.75 | J/mol×K | 917.62 | Joback Calculated Property |
| Cp,gas | 850.61 | J/mol×K | 950.32 | Joback Calculated Property |
| Cp,gas | 860.67 | J/mol×K | 983.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester.
Sources
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