- InChI
- InChI=1S/C27H45F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-22(35)24(5-2,6-3)23(36)38-21-25(28,29)26(30,31)27(32,33)34/h4-21H2,1-3H3
- InChI Key
- MBRJCEPIVGMNMG-UHFFFAOYSA-N
- Formula
- C27H45F7O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 566.63
- 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 | 1.1966 | Relay (1.0) Calculated Property | |
| ΔfG° | -1643.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2611.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.193 | Crippen Calculated Property | |
| McVol | 418.560 | ml/mol | McGowan Calculated Property |
| Pc | 638.66 | kPa | Joback Calculated Property |
| Inp | 2480.00 | NIST | |
| Tboil | 638.34 | K | Relay (1.0) Calculated Property |
| Tc | 762.00 | K | Relay (1.0) Calculated Property |
| Tfus | 294.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1456.22; 1566.85] | J/mol×K | [951.71; 1184.03] | 
|
| Cp,gas | 1456.22 | J/mol×K | 951.71 | Joback Calculated Property |
| Cp,gas | 1477.62 | J/mol×K | 990.43 | Joback Calculated Property |
| Cp,gas | 1497.61 | J/mol×K | 1029.15 | Joback Calculated Property |
| Cp,gas | 1516.34 | J/mol×K | 1067.87 | Joback Calculated Property |
| Cp,gas | 1534.01 | J/mol×K | 1106.59 | Joback Calculated Property |
| Cp,gas | 1550.79 | J/mol×K | 1145.31 | Joback Calculated Property |
| Cp,gas | 1566.85 | J/mol×K | 1184.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester.
Sources
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