- InChI
- InChI=1S/C25H35F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-23(31)25(5-2,6-3)24(32)34-22-20(29)18(27)17(26)19(28)21(22)30/h4-16H2,1-3H3
- InChI Key
- XVVFOWGRKBIJJZ-UHFFFAOYSA-N
- Formula
- C25H35F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 494.54
- 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° | -1215.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1859.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.76 | kJ/mol | Joback Calculated Property |
| log10WS | -9.18 | Crippen Calculated Property | |
| logPoct/wat | 7.558 | Crippen Calculated Property | |
| McVol | 363.080 | ml/mol | McGowan Calculated Property |
| Pc | 827.64 | kPa | Joback Calculated Property |
| Inp | [2481.00; 2481.00] |
|
|
| Inp | 2481.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Tboil | 968.68 | K | Joback Calculated Property |
| Tc | 1191.75 | K | Joback Calculated Property |
| Tfus | 610.22 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.22; 1290.70] | J/mol×K | [968.68; 1191.75] |
|
| Cp,gas | 1213.22 | J/mol×K | 968.68 | Joback Calculated Property |
| Cp,gas | 1229.73 | J/mol×K | 1005.86 | Joback Calculated Property |
| Cp,gas | 1244.75 | J/mol×K | 1043.04 | Joback Calculated Property |
| Cp,gas | 1258.30 | J/mol×K | 1080.21 | Joback Calculated Property |
| Cp,gas | 1270.44 | J/mol×K | 1117.39 | Joback Calculated Property |
| Cp,gas | 1281.23 | J/mol×K | 1154.57 | Joback Calculated Property |
| Cp,gas | 1290.70 | J/mol×K | 1191.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl pentafluorophenyl ester.
Sources
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