- InChI
- InChI=1S/C28H45FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26(30)28(5-2,6-3)27(31)33-25-22-19-18-21-24(25)29/h18-19,21-22H,4-17,20,23H2,1-3H3
- InChI Key
- KINTWSKJBCUSDJ-UHFFFAOYSA-N
- Formula
- C28H45FO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)Oc1ccccc1F - Molecular Weight1
- 464.65
- 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° | -372.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.06 | kJ/mol | Joback Calculated Property |
| log10WS | -9.11 | Crippen Calculated Property | |
| logPoct/wat | 8.172 | Crippen Calculated Property | |
| McVol | 398.270 | ml/mol | McGowan Calculated Property |
| Pc | 805.25 | kPa | Joback Calculated Property |
| Inp | [3011.00; 3011.00] |
|
|
| Inp | 3011.00 | NIST | |
| Inp | 3011.00 | NIST | |
| Tboil | 1020.32 | K | Joback Calculated Property |
| Tc | 1253.15 | K | Joback Calculated Property |
| Tfus | 591.59 | K | Joback Calculated Property |
| Vc | 1.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1376.08; 1463.37] | J/mol×K | [1020.32; 1253.15] |
|
| Cp,gas | 1376.08 | J/mol×K | 1020.32 | Joback Calculated Property |
| Cp,gas | 1394.27 | J/mol×K | 1059.12 | Joback Calculated Property |
| Cp,gas | 1410.88 | J/mol×K | 1097.93 | Joback Calculated Property |
| Cp,gas | 1426.00 | J/mol×K | 1136.73 | Joback Calculated Property |
| Cp,gas | 1439.73 | J/mol×K | 1175.54 | Joback Calculated Property |
| Cp,gas | 1452.15 | J/mol×K | 1214.34 | Joback Calculated Property |
| Cp,gas | 1463.37 | J/mol×K | 1253.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl pentadecyl ester.
Sources
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