- InChI
- InChI=1S/C21H22F2O6/c1-5-21(6-2,19(24)28-15-9-7-13(22)11-17(15)26-3)20(25)29-16-10-8-14(23)12-18(16)27-4/h7-12H,5-6H2,1-4H3
- InChI Key
- BQNRXXKLOKNMNX-UHFFFAOYSA-N
- Formula
- C21H22F2O6
- SMILES
-
CCC(CC)(C(=O)Oc1ccc(F)cc1OC)C(
=O)Oc1ccc(F)cc1OC - Molecular Weight1
- 408.39
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9217 | Relay (1.0) Calculated Property | |
| ΔfG° | -752.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1208.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 289.390 | ml/mol | McGowan Calculated Property |
| Pc | 1429.38 | kPa | Joback Calculated Property |
| Inp | 2524.00 | NIST | |
| Tboil | 658.00 | K | Relay (1.0) Calculated Property |
| Tc | 912.07 | K | Relay (1.0) Calculated Property |
| Tfus | 391.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.50; 953.31] | J/mol×K | [945.89; 1167.46] | 
|
| Cp,gas | 904.50 | J/mol×K | 945.89 | Joback Calculated Property |
| Cp,gas | 916.22 | J/mol×K | 982.82 | Joback Calculated Property |
| Cp,gas | 926.48 | J/mol×K | 1019.75 | Joback Calculated Property |
| Cp,gas | 935.31 | J/mol×K | 1056.67 | Joback Calculated Property |
| Cp,gas | 942.72 | J/mol×K | 1093.60 | Joback Calculated Property |
| Cp,gas | 948.72 | J/mol×K | 1130.53 | Joback Calculated Property |
| Cp,gas | 953.31 | J/mol×K | 1167.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(4-fluoro-2-methoxyphenyl) ester.
Sources
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