- InChI
- InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-13-14-18-28-22(26)24(5-2,6-3)23(27)29-21-17-15-16-20(25)19-21/h15-17,19H,4-14,18H2,1-3H3
- InChI Key
- BQKJCLQGXTWJNZ-UHFFFAOYSA-N
- Formula
- C24H37FO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1cccc(F)c1 - Molecular Weight1
- 408.55
- 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° | -405.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1008.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.15 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 6.611 | Crippen Calculated Property | |
| McVol | 341.910 | ml/mol | McGowan Calculated Property |
| Pc | 1014.24 | kPa | Joback Calculated Property |
| Inp | [2548.00; 2548.00] |
|
|
| Inp | 2548.00 | NIST | |
| Inp | 2548.00 | NIST | |
| Tboil | 928.80 | K | Joback Calculated Property |
| Tc | 1137.95 | K | Joback Calculated Property |
| Tfus | 546.51 | K | Joback Calculated Property |
| Vc | 1.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1126.60; 1209.30] | J/mol×K | [928.80; 1137.95] |
|
| Cp,gas | 1126.60 | J/mol×K | 928.80 | Joback Calculated Property |
| Cp,gas | 1143.38 | J/mol×K | 963.66 | Joback Calculated Property |
| Cp,gas | 1158.89 | J/mol×K | 998.52 | Joback Calculated Property |
| Cp,gas | 1173.18 | J/mol×K | 1033.38 | Joback Calculated Property |
| Cp,gas | 1186.31 | J/mol×K | 1068.24 | Joback Calculated Property |
| Cp,gas | 1198.33 | J/mol×K | 1103.10 | Joback Calculated Property |
| Cp,gas | 1209.30 | J/mol×K | 1137.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-fluorophenyl undecyl ester.
Sources
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