- InChI
- InChI=1S/C31H51FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3
- InChI Key
- BMGPVJAVJDUTDB-UHFFFAOYSA-N
- Formula
- C31H51FO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)Oc1ccccc1F - Molecular Weight1
- 506.73
- 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° | -346.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1152.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.74 | kJ/mol | Joback Calculated Property |
| log10WS | -10.37 | Crippen Calculated Property | |
| logPoct/wat | 9.342 | Crippen Calculated Property | |
| McVol | 440.540 | ml/mol | McGowan Calculated Property |
| Pc | 688.17 | kPa | Joback Calculated Property |
| Inp | [3315.00; 3315.00] |
|
|
| Inp | 3315.00 | NIST | |
| Inp | 3315.00 | NIST | |
| Tboil | 1088.96 | K | Joback Calculated Property |
| Tc | 1352.40 | K | Joback Calculated Property |
| Tfus | 625.40 | K | Joback Calculated Property |
| Vc | 1.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1567.38; 1659.76] | J/mol×K | [1088.96; 1352.40] |
|
| Cp,gas | 1567.38 | J/mol×K | 1088.96 | Joback Calculated Property |
| Cp,gas | 1587.16 | J/mol×K | 1132.87 | Joback Calculated Property |
| Cp,gas | 1604.97 | J/mol×K | 1176.77 | Joback Calculated Property |
| Cp,gas | 1620.98 | J/mol×K | 1220.68 | Joback Calculated Property |
| Cp,gas | 1635.35 | J/mol×K | 1264.59 | Joback Calculated Property |
| Cp,gas | 1648.22 | J/mol×K | 1308.49 | Joback Calculated Property |
| Cp,gas | 1659.76 | J/mol×K | 1352.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl octadecyl ester.
Sources
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