Chemical Properties of Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester

Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester

InChI
InChI=1S/C31H48F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-38-28(36)30(5-2,6-3)29(37)39-26-23-21-22-25(27(26)32)31(33,34)35/h21-23H,4-20,24H2,1-3H3
InChI Key
TXCRMBUUATWLFF-UHFFFAOYSA-N
Formula
C31H48F4O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F
Molecular Weight1
560.70
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Physical Properties

Property Value Unit Source
ΔfusH° 75.54 kJ/mol Joback Calculated Property
logPoct/wat 9.971 Crippen Calculated Property
McVol 445.850 ml/mol McGowan Calculated Property
Inp [3098.00; 3098.00]   Show Hide
Inp 3098.00 NIST
Inp 3098.00 NIST
Tboil 693.31 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1568.04; 1660.10] J/mol×K [1052.58; 1312.37] Show Hide
Cp,gas 1568.04 J/mol×K 1052.58 Joback Calculated Property
Cp,gas 1587.57 J/mol×K 1095.88 Joback Calculated Property
Cp,gas 1605.17 J/mol×K 1139.18 Joback Calculated Property
Cp,gas 1621.03 J/mol×K 1182.48 Joback Calculated Property
Cp,gas 1635.35 J/mol×K 1225.77 Joback Calculated Property
Cp,gas 1648.31 J/mol×K 1269.07 Joback Calculated Property
Cp,gas 1660.10 J/mol×K 1312.37 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl hexadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl undecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tetradecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl nonyl ester. Diethylmalonic acid, eicosyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester. Diethylmalonic acid, butyl 2-fluoro-3-trifluoromethylphenyl ester. Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl propyl ester.

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester.

Sources

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