- InChI
- InChI=1S/C26H41FO4/c1-4-7-8-9-10-11-12-13-14-15-18-21-30-24(28)26(5-2,6-3)25(29)31-23-20-17-16-19-22(23)27/h16-17,19-20H,4-15,18,21H2,1-3H3
- InChI Key
- HOPHDCGQDBXZTF-UHFFFAOYSA-N
- Formula
- C26H41FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1ccccc1F - Molecular Weight1
- 436.60
- 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° | -388.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.392 | Crippen Calculated Property | |
| McVol | 370.090 | ml/mol | McGowan Calculated Property |
| Pc | 900.72 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 974.56 | K | Joback Calculated Property |
| Tc | 1193.39 | K | Joback Calculated Property |
| Tfus | 569.05 | K | Joback Calculated Property |
| Vc | 1.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1250.41; 1335.17] | J/mol×K | [974.56; 1193.39] |
|
| Cp,gas | 1250.41 | J/mol×K | 974.56 | Joback Calculated Property |
| Cp,gas | 1267.82 | J/mol×K | 1011.03 | Joback Calculated Property |
| Cp,gas | 1283.82 | J/mol×K | 1047.50 | Joback Calculated Property |
| Cp,gas | 1298.48 | J/mol×K | 1083.97 | Joback Calculated Property |
| Cp,gas | 1311.88 | J/mol×K | 1120.45 | Joback Calculated Property |
| Cp,gas | 1324.08 | J/mol×K | 1156.92 | Joback Calculated Property |
| Cp,gas | 1335.17 | J/mol×K | 1193.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl tridecyl ester.
Sources
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