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

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

InChI
InChI=1S/C15H18ClFO4/c1-4-5-9-20-13(18)15(2,3)14(19)21-12-10(16)7-6-8-11(12)17/h6-8H,4-5,9H2,1-3H3
InChI Key
JQWDBNCRAPZNSD-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
316.76
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Physical Properties

Property Value Unit Source
ΔfH°gas -917.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.47 kJ/mol Joback Calculated Property
ΔvapH° 83.01 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.754 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Inp [1872.00; 1872.00]   Show Hide
Inp 1872.00 NIST
Inp 1872.00 NIST
Tboil 554.66 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 [324.35; 701.61] 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 A2.92730e+01
Coefficient B1.26576e+00
Coefficient C-7.08720e-04
Coefficient D1.15300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.35 J/mol×K 273.00 Calculated Property
Cp,gas 393.47 J/mol×K 353.78 Calculated Property
Cp,gas 454.94 J/mol×K 434.56 Calculated Property
Cp,gas 509.13 J/mol×K 515.33 Calculated Property
Cp,gas 556.39 J/mol×K 596.11 Calculated Property
Cp,gas 597.09 J/mol×K 676.89 Calculated Property
Cp,gas 631.60 J/mol×K 757.67 Calculated Property
Cp,gas 660.28 J/mol×K 838.44 Calculated Property
Cp,gas 683.50 J/mol×K 919.22 Calculated Property
Cp,gas 701.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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