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

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

InChI
InChI=1S/C14H16ClFO4/c1-4-8-19-12(17)14(2,3)13(18)20-11-9(15)6-5-7-10(11)16/h5-7H,4,8H2,1-3H3
InChI Key
GZMKLAYYFNJJGI-UHFFFAOYSA-N
Formula
C14H16ClFO4
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
302.73
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Physical Properties

Property Value Unit Source
ΔfusH° 33.88 kJ/mol Joback Calculated Property
logPoct/wat 3.364 Crippen Calculated Property
McVol 213.250 ml/mol McGowan Calculated Property
Inp 1785.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [303.14; 650.02] 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 A3.01820e+01
Coefficient B1.17076e+00
Coefficient C-6.54320e-04
Coefficient D1.03400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.14 J/mol×K 273.00 Calculated Property
Cp,gas 367.06 J/mol×K 353.78 Calculated Property
Cp,gas 423.87 J/mol×K 434.56 Calculated Property
Cp,gas 473.90 J/mol×K 515.33 Calculated Property
Cp,gas 517.48 J/mol×K 596.11 Calculated Property
Cp,gas 554.93 J/mol×K 676.89 Calculated Property
Cp,gas 586.58 J/mol×K 757.67 Calculated Property
Cp,gas 612.77 J/mol×K 838.44 Calculated Property
Cp,gas 633.80 J/mol×K 919.22 Calculated Property
Cp,gas 650.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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