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

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

InChI
InChI=1S/C29H46ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(2,3)28(33)35-26-24(30)21-20-22-25(26)31/h20-22H,4-19,23H2,1-3H3
InChI Key
GVYPKPQNTKTZAL-UHFFFAOYSA-N
Formula
C29H46ClFO4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
513.13
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Physical Properties

Property Value Unit Source
ΔfusH° 72.73 kJ/mol Joback Calculated Property
log10WS -8.68 Relay (1.0) Calculated Property
logPoct/wat 9.215 Crippen Calculated Property
McVol 424.600 ml/mol McGowan Calculated Property
Pc 709.60 kPa Joback Calculated Property
Inp [3297.00; 3297.00]   Show Hide
Inp 3297.00 NIST
Inp 3297.00 NIST
Tboil 664.67 K Relay (1.0) Calculated Property
Tfus 320.84 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 [621.34; 1423.89] 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 A1.65470e+01
Coefficient B2.59576e+00
Coefficient C-1.47032e-03
Coefficient D2.81900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 621.34 J/mol×K 273.00 Calculated Property
Cp,gas 763.33 J/mol×K 353.78 Calculated Property
Cp,gas 890.03 J/mol×K 434.56 Calculated Property
Cp,gas 1002.34 J/mol×K 515.33 Calculated Property
Cp,gas 1101.15 J/mol×K 596.11 Calculated Property
Cp,gas 1187.35 J/mol×K 676.89 Calculated Property
Cp,gas 1261.83 J/mol×K 757.67 Calculated Property
Cp,gas 1325.49 J/mol×K 838.44 Calculated Property
Cp,gas 1379.21 J/mol×K 919.22 Calculated Property
Cp,gas 1423.89 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 tetradecyl 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 octadecyl ester.

Sources

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