- InChI
- InChI=1S/C18H25FO4/c1-4-7-8-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-10-14(19)13-15/h9-11,13H,4-8,12H2,1-3H3
- InChI Key
- BCFPIXKAHFZDOQ-UHFFFAOYSA-N
- Formula
- C18H25FO4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
cc(F)c1 - Molecular Weight1
- 324.39
- 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° | -456.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.271 | Crippen Calculated Property | |
| McVol | 257.370 | ml/mol | McGowan Calculated Property |
| Pc | 1521.12 | kPa | Joback Calculated Property |
| Inp | 1939.00 | NIST | |
| Tboil | 791.52 | K | Joback Calculated Property |
| Tc | 992.18 | K | Joback Calculated Property |
| Tfus | 478.89 | K | Joback Calculated Property |
| Vc | 0.991 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.38; 847.65] | J/mol×K | [791.52; 992.18] | 
|
| Cp,gas | 770.38 | J/mol×K | 791.52 | Joback Calculated Property |
| Cp,gas | 785.77 | J/mol×K | 824.96 | Joback Calculated Property |
| Cp,gas | 800.10 | J/mol×K | 858.41 | Joback Calculated Property |
| Cp,gas | 813.42 | J/mol×K | 891.85 | Joback Calculated Property |
| Cp,gas | 825.77 | J/mol×K | 925.29 | Joback Calculated Property |
| Cp,gas | 837.16 | J/mol×K | 958.73 | Joback Calculated Property |
| Cp,gas | 847.65 | J/mol×K | 992.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-fluorophenyl pentyl ester.
Sources
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