- InChI
- InChI=1S/C25H37F3O4/c1-4-7-8-9-10-11-12-13-14-15-31-23(29)25(5-2,6-3)24(30)32-18-19-16-21(27)22(28)17-20(19)26/h16-17H,4-15,18H2,1-3H3
- InChI Key
- BQBDRCXRXZDMOJ-UHFFFAOYSA-N
- Formula
- C25H37F3O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)OCc1cc(F)c(F)cc1F - Molecular Weight1
- 458.55
- 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 | 1.0825 | Relay (1.0) Calculated Property | |
| ΔfG° | -806.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1428.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.028 | Crippen Calculated Property | |
| McVol | 359.540 | ml/mol | McGowan Calculated Property |
| Pc | 887.88 | kPa | Joback Calculated Property |
| Inp | 2573.00 | NIST | |
| Tboil | 646.88 | K | Relay (1.0) Calculated Property |
| Tc | 846.18 | K | Relay (1.0) Calculated Property |
| Tfus | 321.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.323 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1200.84; 1281.16] | J/mol×K | [960.18; 1176.72] | 
|
| Cp,gas | 1200.84 | J/mol×K | 960.18 | Joback Calculated Property |
| Cp,gas | 1217.53 | J/mol×K | 996.27 | Joback Calculated Property |
| Cp,gas | 1232.82 | J/mol×K | 1032.36 | Joback Calculated Property |
| Cp,gas | 1246.78 | J/mol×K | 1068.45 | Joback Calculated Property |
| Cp,gas | 1259.45 | J/mol×K | 1104.54 | Joback Calculated Property |
| Cp,gas | 1270.89 | J/mol×K | 1140.63 | Joback Calculated Property |
| Cp,gas | 1281.16 | J/mol×K | 1176.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,4,5-trifluorobenzyl undecyl ester.
Sources
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