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

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

InChI
InChI=1S/C25H38ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-30-23(28)25(2,3)24(29)31-22-20(26)17-16-18-21(22)27/h16-18H,4-15,19H2,1-3H3
InChI Key
QSXXZICVPHNDQF-UHFFFAOYSA-N
Formula
C25H38ClFO4
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
457.02
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Physical Properties

Property Value Unit Source
ΔfusH° 62.37 kJ/mol Joback Calculated Property
log10WS -7.59 Relay (1.0) Calculated Property
logPoct/wat 7.655 Crippen Calculated Property
McVol 368.240 ml/mol McGowan Calculated Property
Pc 880.52 kPa Joback Calculated Property
Inp [2866.00; 2866.00]   Show Hide
Inp 2866.00 NIST
Inp 2866.00 NIST
Tboil 636.91 K Relay (1.0) Calculated Property
Tfus 312.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [536.49; 1217.52] 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 A2.01830e+01
Coefficient B2.21576e+00
Coefficient C-1.25272e-03
Coefficient D2.34300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 536.49 J/mol×K 273.00 Calculated Property
Cp,gas 657.66 J/mol×K 353.78 Calculated Property
Cp,gas 765.72 J/mol×K 434.56 Calculated Property
Cp,gas 861.42 J/mol×K 515.33 Calculated Property
Cp,gas 945.50 J/mol×K 596.11 Calculated Property
Cp,gas 1018.70 J/mol×K 676.89 Calculated Property
Cp,gas 1081.76 J/mol×K 757.67 Calculated Property
Cp,gas 1135.43 J/mol×K 838.44 Calculated Property
Cp,gas 1180.43 J/mol×K 919.22 Calculated Property
Cp,gas 1217.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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