Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester

Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester

InChI
InChI=1S/C16H20ClFO4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6,11H,4,7-10H2,1-2H3
InChI Key
VJHMOHZHMOHVJQ-UHFFFAOYSA-N
Formula
C16H20ClFO4
SMILES
CC(C)CCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
330.78
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Physical Properties

Property Value Unit Source
ΔfH°gas -953.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 42.95 kJ/mol Joback Calculated Property
ΔvapH° 92.13 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.144 Crippen Calculated Property
McVol 241.430 ml/mol McGowan Calculated Property
Inp [2329.00; 2329.00]   Show Hide
Inp 2329.00 NIST
Inp 2329.00 NIST
Tboil 593.54 K Relay (1.0) Calculated Property
Tc 813.43 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [346.71; 752.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.11550e+01
Coefficient B1.24084e+00
Coefficient C-5.94520e-04
Coefficient D5.48000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.71 J/mol×K 273.00 Calculated Property
Cp,gas 418.15 J/mol×K 353.78 Calculated Property
Cp,gas 482.60 J/mol×K 434.56 Calculated Property
Cp,gas 540.22 J/mol×K 515.33 Calculated Property
Cp,gas 591.18 J/mol×K 596.11 Calculated Property
Cp,gas 635.66 J/mol×K 676.89 Calculated Property
Cp,gas 673.84 J/mol×K 757.67 Calculated Property
Cp,gas 705.89 J/mol×K 838.44 Calculated Property
Cp,gas 731.98 J/mol×K 919.22 Calculated Property
Cp,gas 752.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl 3,7-dimethyloctyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-ethylbutyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylpentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl hexyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methylpentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl octyl ester. Glutaric acid, 2-chloro-6-fluorophenyl nonyl ester. Glutaric acid, 2-chloro-6-fluorophenyl tridecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl dodecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl decyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-methylpent-2-yl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-ethylhexyl ester.

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester.

Sources

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