Chemical Properties of Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester

Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C30H47F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-28(34)30(5-2,6-3)29(35)37-25-22-21-24(31)26(32)27(25)33/h21-22H,4-20,23H2,1-3H3
InChI Key
DOUJCGGCVAQDPE-UHFFFAOYSA-N
Formula
C30H47F3O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
528.69
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Physical Properties

Property Value Unit Source
ΔfusH° 76.89 kJ/mol Joback Calculated Property
log10WS -8.99 Relay (1.0) Calculated Property
logPoct/wat 9.230 Crippen Calculated Property
McVol 429.990 ml/mol McGowan Calculated Property
Pc 651.44 kPa Joback Calculated Property
Inp [3117.00; 3117.00]   Show Hide
Inp 3117.00 NIST
Inp 3117.00 NIST
Tboil 679.77 K Relay (1.0) Calculated Property
Tfus 316.25 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 [648.10; 1478.31] 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 A2.92280e+01
Coefficient B2.64806e+00
Coefficient C-1.47008e-03
Coefficient D2.71100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 648.10 J/mol×K 273.00 Calculated Property
Cp,gas 794.06 J/mol×K 353.78 Calculated Property
Cp,gas 924.60 J/mol×K 434.56 Calculated Property
Cp,gas 1040.56 J/mol×K 515.33 Calculated Property
Cp,gas 1142.80 J/mol×K 596.11 Calculated Property
Cp,gas 1232.19 J/mol×K 676.89 Calculated Property
Cp,gas 1309.58 J/mol×K 757.67 Calculated Property
Cp,gas 1375.82 J/mol×K 838.44 Calculated Property
Cp,gas 1431.78 J/mol×K 919.22 Calculated Property
Cp,gas 1478.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl hexyl ester.

Find more compounds similar to Diethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester.

Sources

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