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

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

InChI
InChI=1S/C25H37F3O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-23(29)25(5-2,6-3)24(30)32-20-17-16-19(26)21(27)22(20)28/h16-17H,4-15,18H2,1-3H3
InChI Key
KIRMRXVJJZSKBJ-UHFFFAOYSA-N
Formula
C25H37F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
458.55
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Physical Properties

Property Value Unit Source
ΔfusH° 63.94 kJ/mol Joback Calculated Property
log10WS -7.62 Relay (1.0) Calculated Property
logPoct/wat 7.280 Crippen Calculated Property
McVol 359.540 ml/mol McGowan Calculated Property
Pc 846.03 kPa Joback Calculated Property
Inp [2580.00; 2580.00]   Show Hide
Inp 2580.00 NIST
Inp 2580.00 NIST
Tboil 643.56 K Relay (1.0) Calculated Property
Tfus 306.68 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 [1185.84; 1265.33] J/mol×K [924.24; 1131.85] Show Hide
Cp,gas 1185.84 J/mol×K 924.24 Joback Calculated Property
Cp,gas 1202.44 J/mol×K 958.84 Joback Calculated Property
Cp,gas 1217.63 J/mol×K 993.44 Joback Calculated Property
Cp,gas 1231.46 J/mol×K 1028.05 Joback Calculated Property
Cp,gas 1243.99 J/mol×K 1062.65 Joback Calculated Property
Cp,gas 1255.26 J/mol×K 1097.25 Joback Calculated Property
Cp,gas 1265.33 J/mol×K 1131.85 Joback 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, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, heptadecyl 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, dodecyl 2,3,4-trifluorophenyl ester.

Sources

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