- InChI
- InChI=1S/C15H15F5O4/c1-4-15(5-2,13(21)23-6-3)14(22)24-12-10(19)8(17)7(16)9(18)11(12)20/h4-6H2,1-3H3
- InChI Key
- UJGWZKIAQLEFNB-UHFFFAOYSA-N
- Formula
- C15H15F5O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)Oc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 354.27
- 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° | -1299.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1652.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.657 | Crippen Calculated Property | |
| McVol | 222.180 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 739.88 | K | Joback Calculated Property |
| Tc | 923.75 | K | Joback Calculated Property |
| Tfus | 497.52 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.24; 693.10] | J/mol×K | [739.88; 923.75] |
|
| Cp,gas | 631.24 | J/mol×K | 739.88 | Joback Calculated Property |
| Cp,gas | 643.35 | J/mol×K | 770.52 | Joback Calculated Property |
| Cp,gas | 654.73 | J/mol×K | 801.17 | Joback Calculated Property |
| Cp,gas | 665.39 | J/mol×K | 831.81 | Joback Calculated Property |
| Cp,gas | 675.34 | J/mol×K | 862.46 | Joback Calculated Property |
| Cp,gas | 684.57 | J/mol×K | 893.10 | Joback Calculated Property |
| Cp,gas | 693.10 | J/mol×K | 923.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl pentafluorophenyl ester.
Sources
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