- InChI
- InChI=1S/C18H25FO5/c1-6-18(7-2,16(20)23-11-12(3)4)17(21)24-14-9-8-13(19)10-15(14)22-5/h8-10,12H,6-7,11H2,1-5H3
- InChI Key
- KEZXHLPWUURWGX-UHFFFAOYSA-N
- Formula
- C18H25FO5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(F)cc1OC - Molecular Weight1
- 340.39
- 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° | -573.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.745 | Crippen Calculated Property | |
| McVol | 263.240 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | 2046.00 | NIST | |
| Tboil | 818.48 | K | Joback Calculated Property |
| Tc | 1022.30 | K | Joback Calculated Property |
| Tfus | 498.64 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.57; 872.14] | J/mol×K | [818.48; 1022.30] | 
|
| Cp,gas | 798.57 | J/mol×K | 818.48 | Joback Calculated Property |
| Cp,gas | 813.58 | J/mol×K | 852.45 | Joback Calculated Property |
| Cp,gas | 827.47 | J/mol×K | 886.42 | Joback Calculated Property |
| Cp,gas | 840.25 | J/mol×K | 920.39 | Joback Calculated Property |
| Cp,gas | 851.94 | J/mol×K | 954.36 | Joback Calculated Property |
| Cp,gas | 862.57 | J/mol×K | 988.33 | Joback Calculated Property |
| Cp,gas | 872.14 | J/mol×K | 1022.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 4-fluoro-2-methoxyphenyl ester.
Sources
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