- InChI
- InChI=1S/C23H33F3O4/c1-4-7-8-9-10-11-16-29-20(27)22(5-2,6-3)21(28)30-17-18-12-14-19(15-13-18)23(24,25)26/h12-15H,4-11,16-17H2,1-3H3
- InChI Key
- NQJFJIAOWFJGSJ-UHFFFAOYSA-N
- Formula
- C23H33F3O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
c1ccc(C(F)(F)F)cc1 - Molecular Weight1
- 430.50
- 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° | -801.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1388.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.00 | kJ/mol | Joback Calculated Property |
| log10WS | -7.22 | Crippen Calculated Property | |
| logPoct/wat | 6.459 | Crippen Calculated Property | |
| McVol | 331.360 | ml/mol | McGowan Calculated Property |
| Pc | 1030.59 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 901.23 | K | Joback Calculated Property |
| Tc | 1104.88 | K | Joback Calculated Property |
| Tfus | 538.84 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1080.16; 1160.31] | J/mol×K | [901.23; 1104.88] |
|
| Cp,gas | 1080.16 | J/mol×K | 901.23 | Joback Calculated Property |
| Cp,gas | 1096.13 | J/mol×K | 935.17 | Joback Calculated Property |
| Cp,gas | 1110.97 | J/mol×K | 969.11 | Joback Calculated Property |
| Cp,gas | 1124.74 | J/mol×K | 1003.05 | Joback Calculated Property |
| Cp,gas | 1137.50 | J/mol×K | 1036.99 | Joback Calculated Property |
| Cp,gas | 1149.34 | J/mol×K | 1070.94 | Joback Calculated Property |
| Cp,gas | 1160.31 | J/mol×K | 1104.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester.
Sources
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