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

Glutaric acid, 2-chloro-6-fluorophenyl isobutyl ester

InChI
InChI=1S/C15H18ClFO4/c1-10(2)9-20-13(18)7-4-8-14(19)21-15-11(16)5-3-6-12(15)17/h3,5-6,10H,4,7-9H2,1-2H3
InChI Key
RKRHAMJLVWXHNO-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CC(C)COC(=O)CCCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
316.76
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Physical Properties

Property Value Unit Source
ΔfH°gas -934.66 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.36 kJ/mol Joback Calculated Property
ΔvapH° 87.28 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.754 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Inp [2027.00; 2027.00]   Show Hide
Inp 2027.00 NIST
Inp 2027.00 NIST
Tboil 582.65 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 [325.50; 700.68] 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 A5.20640e+01
Coefficient B1.14584e+00
Coefficient C-5.40120e-04
Coefficient D4.29000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 325.50 J/mol×K 273.00 Calculated Property
Cp,gas 391.74 J/mol×K 353.78 Calculated Property
Cp,gas 451.52 J/mol×K 434.56 Calculated Property
Cp,gas 504.99 J/mol×K 515.33 Calculated Property
Cp,gas 552.27 J/mol×K 596.11 Calculated Property
Cp,gas 593.50 J/mol×K 676.89 Calculated Property
Cp,gas 628.83 J/mol×K 757.67 Calculated Property
Cp,gas 658.37 J/mol×K 838.44 Calculated Property
Cp,gas 682.28 J/mol×K 919.22 Calculated Property
Cp,gas 700.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl neopentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methylpentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-ethylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2,4,4-trimethylpentyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl dodecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl tridecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl octyl ester. Glutaric acid, 2-chloro-6-fluorophenyl decyl ester. Glutaric acid, 2-chloro-6-fluorophenyl nonyl ester. Glutaric acid, 2-chloro-6-fluorophenyl pentadecyl ester. Glutaric acid, 2-chloro-6-fluorophenyl hexyl ester. Glutaric acid, 2-chloro-6-fluorophenyl but-3-en-1-yl ester. Glutaric acid, 3-methylbut-2-yl 2-chloro-6-fluorophenyl ester.

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

Sources

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