- InChI
- InChI=1S/C20H28F2O4/c1-4-7-8-9-12-25-18(23)20(5-2,6-3)19(24)26-14-15-10-11-16(21)17(22)13-15/h10-11,13H,4-9,12,14H2,1-3H3
- InChI Key
- ZWOQMJBJPJHIJS-UHFFFAOYSA-N
- Formula
- C20H28F2O4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1
ccc(F)c(F)c1 - Molecular Weight1
- 370.43
- 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 | 0.8749 | Relay (1.0) Calculated Property | |
| ΔfG° | -643.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1165.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.938 | Crippen Calculated Property | |
| McVol | 287.320 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | 2154.00 | NIST | |
| Tboil | 610.74 | K | Relay (1.0) Calculated Property |
| Tc | 811.04 | K | Relay (1.0) Calculated Property |
| Tfus | 282.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.040 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [892.81; 969.56] | J/mol×K | [841.53; 1039.03] | 
|
| Cp,gas | 892.81 | J/mol×K | 841.53 | Joback Calculated Property |
| Cp,gas | 908.16 | J/mol×K | 874.45 | Joback Calculated Property |
| Cp,gas | 922.44 | J/mol×K | 907.36 | Joback Calculated Property |
| Cp,gas | 935.68 | J/mol×K | 940.28 | Joback Calculated Property |
| Cp,gas | 947.93 | J/mol×K | 973.20 | Joback Calculated Property |
| Cp,gas | 959.21 | J/mol×K | 1006.12 | Joback Calculated Property |
| Cp,gas | 969.56 | J/mol×K | 1039.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl hexyl ester.
Sources
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