- InChI
- InChI=1S/C24H35F3O4/c1-4-7-8-9-10-11-12-13-14-17-30-22(28)24(5-2,6-3)23(29)31-19-16-15-18(25)20(26)21(19)27/h15-16H,4-14,17H2,1-3H3
- InChI Key
- GEYLNOQRPBJUQB-UHFFFAOYSA-N
- Formula
- C24H35F3O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1ccc(F)c(F)c1F - Molecular Weight1
- 444.53
- 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 | 1.0550 | Relay (... Calculated Property | |
| ΔfG° | -814.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1396.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.92 | eV | Relay (... Calculated Property |
| log10WS | -7.34 | Relay (... Calculated Property | |
| logPoct/wat | 6.890 | Crippen Calculated Property | |
| McVol | 345.450 | ml/mol | McGowan Calculated Property |
| Pc | 940.95 | kPa | Joback Calculated Property |
| Inp | 2487.00 | NIST | |
| Tboil | 635.66 | K | Relay (... Calculated Property |
| Tc | 835.29 | K | Relay (... Calculated Property |
| Tfus | 310.37 | K | Relay (... Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1139.37; 1218.52] | J/mol×K | [937.30; 1147.65] | 
|
| Cp,gas | 1139.37 | J/mol×K | 937.30 | Joback Calculated Property |
| Cp,gas | 1155.66 | J/mol×K | 972.36 | Joback Calculated Property |
| Cp,gas | 1170.65 | J/mol×K | 1007.42 | Joback Calculated Property |
| Cp,gas | 1184.38 | J/mol×K | 1042.48 | Joback Calculated Property |
| Cp,gas | 1196.90 | J/mol×K | 1077.54 | Joback Calculated Property |
| Cp,gas | 1208.27 | J/mol×K | 1112.59 | Joback Calculated Property |
| Cp,gas | 1218.52 | J/mol×K | 1147.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester.
Sources
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