- InChI
- InChI=1S/C16H17F5O4/c1-4-16(5-2,14(22)24-6-3)15(23)25-7-8-9(17)11(19)13(21)12(20)10(8)18/h4-7H2,1-3H3
- InChI Key
- IHJXMRKEGKMCMD-UHFFFAOYSA-N
- Formula
- C16H17F5O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 368.30
- 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° | -1290.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1673.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 3.795 | Crippen Calculated Property | |
| McVol | 236.270 | ml/mol | McGowan Calculated Property |
| Pc | 1465.73 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1622.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 762.76 | K | Joback Calculated Property |
| Tc | 947.11 | K | Joback Calculated Property |
| Tfus | 508.79 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.54; 749.51] | J/mol×K | [762.76; 947.11] |
|
| Cp,gas | 685.54 | J/mol×K | 762.76 | Joback Calculated Property |
| Cp,gas | 698.11 | J/mol×K | 793.48 | Joback Calculated Property |
| Cp,gas | 709.91 | J/mol×K | 824.21 | Joback Calculated Property |
| Cp,gas | 720.94 | J/mol×K | 854.93 | Joback Calculated Property |
| Cp,gas | 731.22 | J/mol×K | 885.66 | Joback Calculated Property |
| Cp,gas | 740.74 | J/mol×K | 916.38 | Joback Calculated Property |
| Cp,gas | 749.51 | J/mol×K | 947.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl pentafluorobenzyl ester.
Sources
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