Chemical Properties of Diethylmalonic acid, 2-fluorophenyl tetradecyl ester

Diethylmalonic acid, 2-fluorophenyl tetradecyl ester

InChI
InChI=1S/C27H43FO4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-25(29)27(5-2,6-3)26(30)32-24-21-18-17-20-23(24)28/h17-18,20-21H,4-16,19,22H2,1-3H3
InChI Key
GZIUPCVMMPIJRK-UHFFFAOYSA-N
Formula
C27H43FO4
SMILES
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F
Molecular Weight1
450.63
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Physical Properties

Property Value Unit Source
ΔfusH° 63.74 kJ/mol Joback Calculated Property
log10WS -7.32 Relay (1.0) Calculated Property
logPoct/wat 7.782 Crippen Calculated Property
McVol 384.180 ml/mol McGowan Calculated Property
Pc 811.68 kPa Joback Calculated Property
Inp [2892.00; 2892.00]   Show Hide
Inp 2892.00 NIST
Inp 2892.00 NIST
Tboil 656.82 K Relay (1.0) Calculated Property
Tfus 313.97 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 [562.96; 1315.47] 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 A-8.82500e+00
Coefficient B2.45846e+00
Coefficient C-1.40816e-03
Coefficient D2.74000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 562.96 J/mol×K 273.00 Calculated Property
Cp,gas 696.81 J/mol×K 353.78 Calculated Property
Cp,gas 816.08 J/mol×K 434.56 Calculated Property
Cp,gas 921.64 J/mol×K 515.33 Calculated Property
Cp,gas 1014.34 J/mol×K 596.11 Calculated Property
Cp,gas 1095.07 J/mol×K 676.89 Calculated Property
Cp,gas 1164.68 J/mol×K 757.67 Calculated Property
Cp,gas 1224.04 J/mol×K 838.44 Calculated Property
Cp,gas 1274.01 J/mol×K 919.22 Calculated Property
Cp,gas 1315.48 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-fluorophenyl octyl ester. Diethylmalonic acid, 2-fluorophenyl tridecyl ester. Diethylmalonic acid, dodecyl 2-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl undecyl ester. Diethylmalonic acid, 2-fluorophenyl heptyl ester. Diethylmalonic acid, 2-fluorophenyl hexyl ester. Diethylmalonic acid, 2-fluorophenyl nonyl ester. Diethylmalonic acid, 2-fluorophenyl pentadecyl ester. Diethylmalonic acid, decyl 2-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl octadecyl ester. Diethylmalonic acid, 2-fluorophenyl heptadecyl ester. Diethylmalonic acid, 2-fluorophenyl hexadecyl ester. Diethylmalonic acid, 2-fluorophenyl pentyl ester. Diethylmalonic acid, butyl 2-fluorophenyl ester. Diethylmalonic acid, dodecyl 3-fluorophenyl ester.

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl tetradecyl ester.

Sources

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