- InChI
- InChI=1S/C25H39FO4/c1-4-7-8-9-10-11-12-13-14-15-19-29-23(27)25(5-2,6-3)24(28)30-22-18-16-17-21(26)20-22/h16-18,20H,4-15,19H2,1-3H3
- InChI Key
- YXGNPKLRFUTSIE-UHFFFAOYSA-N
- Formula
- C25H39FO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1cccc(F)c1 - Molecular Weight1
- 422.57
- 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° | -397.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.38 | kJ/mol | Joback Calculated Property |
| log10WS | -7.85 | Crippen Calculated Property | |
| logPoct/wat | 7.002 | Crippen Calculated Property | |
| McVol | 356.000 | ml/mol | McGowan Calculated Property |
| Pc | 954.96 | kPa | Joback Calculated Property |
| Inp | [2644.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 951.68 | K | Joback Calculated Property |
| Tc | 1165.17 | K | Joback Calculated Property |
| Tfus | 557.78 | K | Joback Calculated Property |
| Vc | 1.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.25; 1271.93] | J/mol×K | [951.68; 1165.17] |
|
| Cp,gas | 1188.25 | J/mol×K | 951.68 | Joback Calculated Property |
| Cp,gas | 1205.33 | J/mol×K | 987.26 | Joback Calculated Property |
| Cp,gas | 1221.07 | J/mol×K | 1022.84 | Joback Calculated Property |
| Cp,gas | 1235.53 | J/mol×K | 1058.42 | Joback Calculated Property |
| Cp,gas | 1248.79 | J/mol×K | 1094.01 | Joback Calculated Property |
| Cp,gas | 1260.90 | J/mol×K | 1129.59 | Joback Calculated Property |
| Cp,gas | 1271.93 | J/mol×K | 1165.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 3-fluorophenyl ester.
Sources
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