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

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

InChI
InChI=1S/C23H34ClFO4/c1-4-5-6-7-8-9-10-11-12-13-17-28-21(26)23(2,3)22(27)29-20-18(24)15-14-16-19(20)25/h14-16H,4-13,17H2,1-3H3
InChI Key
XJPAROOCAYDPSK-UHFFFAOYSA-N
Formula
C23H34ClFO4
SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
428.96
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Physical Properties

Property Value Unit Source
ΔfusH° 57.19 kJ/mol Joback Calculated Property
log10WS -7.04 Relay (1.0) Calculated Property
logPoct/wat 6.875 Crippen Calculated Property
McVol 340.060 ml/mol McGowan Calculated Property
Pc 990.13 kPa Joback Calculated Property
Inp [2666.00; 2666.00]   Show Hide
Inp 2666.00 NIST
Inp 2666.00 NIST
Tboil 622.70 K Relay (1.0) Calculated Property
Tfus 307.91 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1077.90; 1151.46] J/mol×K [912.39; 1119.25] Show Hide
Cp,gas 1077.90 J/mol×K 912.39 Joback Calculated Property
Cp,gas 1093.23 J/mol×K 946.87 Joback Calculated Property
Cp,gas 1107.27 J/mol×K 981.34 Joback Calculated Property
Cp,gas 1120.06 J/mol×K 1015.82 Joback Calculated Property
Cp,gas 1131.65 J/mol×K 1050.29 Joback Calculated Property
Cp,gas 1142.10 J/mol×K 1084.77 Joback Calculated Property
Cp,gas 1151.46 J/mol×K 1119.25 Joback 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 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 tetradecyl 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 dodecyl ester.

Sources

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