- InChI
- InChI=1S/C17H22ClFO4/c1-4-7-11-22-15(20)17(5-2,6-3)16(21)23-14-12(18)9-8-10-13(14)19/h8-10H,4-7,11H2,1-3H3
- InChI Key
- ZIQYTOPBTYYENL-UHFFFAOYSA-N
- Formula
- C17H22ClFO4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F
)cccc1Cl - Molecular Weight1
- 344.81
- 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° | -486.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 4.534 | Crippen Calculated Property | |
| McVol | 255.520 | ml/mol | McGowan Calculated Property |
| Pc | 1574.70 | kPa | Joback Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 811.05 | K | Joback Calculated Property |
| Tc | 1017.47 | K | Joback Calculated Property |
| Tfus | 510.06 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.44; 808.14] | J/mol×K | [811.05; 1017.47] | 
|
| Cp,gas | 739.44 | J/mol×K | 811.05 | Joback Calculated Property |
| Cp,gas | 753.32 | J/mol×K | 845.45 | Joback Calculated Property |
| Cp,gas | 766.19 | J/mol×K | 879.86 | Joback Calculated Property |
| Cp,gas | 778.08 | J/mol×K | 914.26 | Joback Calculated Property |
| Cp,gas | 789.01 | J/mol×K | 948.67 | Joback Calculated Property |
| Cp,gas | 799.02 | J/mol×K | 983.07 | Joback Calculated Property |
| Cp,gas | 808.14 | J/mol×K | 1017.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester.
Sources
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