Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester

InChI
InChI=1S/C17H22ClFO4/c1-11(2)7-6-10-22-15(20)17(3,4)16(21)23-14-12(18)8-5-9-13(14)19/h5,8-9,11H,6-7,10H2,1-4H3
InChI Key
SYRREAXTFHQWTL-UHFFFAOYSA-N
Formula
C17H22ClFO4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
344.81
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Physical Properties

Property Value Unit Source
ΔfusH° 38.13 kJ/mol Joback Calculated Property
logPoct/wat 4.390 Crippen Calculated Property
McVol 255.520 ml/mol McGowan Calculated Property
Inp [2029.00; 2029.00]   Show Hide
Inp 2029.00 NIST
Inp 2029.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [366.46; 805.33] 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 A2.57730e+01
Coefficient B1.46168e+00
Coefficient C-8.20720e-04
Coefficient D1.38600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 366.46 J/mol×K 273.00 Calculated Property
Cp,gas 446.30 J/mol×K 353.78 Calculated Property
Cp,gas 517.34 J/mol×K 434.56 Calculated Property
Cp,gas 580.04 J/mol×K 515.33 Calculated Property
Cp,gas 634.81 J/mol×K 596.11 Calculated Property
Cp,gas 682.12 J/mol×K 676.89 Calculated Property
Cp,gas 722.38 J/mol×K 757.67 Calculated Property
Cp,gas 756.05 J/mol×K 838.44 Calculated Property
Cp,gas 783.55 J/mol×K 919.22 Calculated Property
Cp,gas 805.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester.

Sources

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