- InChI
- InChI=1S/C18H27F7O4/c1-4-7-8-9-10-11-28-13(26)15(5-2,6-3)14(27)29-12-16(19,20)17(21,22)18(23,24)25/h4-12H2,1-3H3
- InChI Key
- BGICUZPKOFZWII-UHFFFAOYSA-N
- Formula
- C18H27F7O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC
(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 440.39
- 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 | 0.8650 | Relay (1.0) Calculated Property | |
| ΔfG° | -1719.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2438.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.683 | Crippen Calculated Property | |
| McVol | 291.750 | ml/mol | McGowan Calculated Property |
| Pc | 1045.30 | kPa | Joback Calculated Property |
| Inp | 1632.00 | NIST | |
| Tboil | 549.12 | K | Relay (1.0) Calculated Property |
| Tc | 678.82 | K | Relay (1.0) Calculated Property |
| Tfus | 265.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.088 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.63; 988.77] | J/mol×K | [745.79; 916.58] | 
|
| Cp,gas | 909.63 | J/mol×K | 745.79 | Joback Calculated Property |
| Cp,gas | 924.92 | J/mol×K | 774.25 | Joback Calculated Property |
| Cp,gas | 939.30 | J/mol×K | 802.72 | Joback Calculated Property |
| Cp,gas | 952.81 | J/mol×K | 831.18 | Joback Calculated Property |
| Cp,gas | 965.53 | J/mol×K | 859.65 | Joback Calculated Property |
| Cp,gas | 977.50 | J/mol×K | 888.11 | Joback Calculated Property |
| Cp,gas | 988.77 | J/mol×K | 916.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester.
Sources
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