Chemical Properties of Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester

Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C17H21F3O4/c1-4-5-6-7-10-23-15(21)17(2,3)16(22)24-12-9-8-11(18)13(19)14(12)20/h8-9H,4-7,10H2,1-3H3
InChI Key
CPJDZQLJOCBUTQ-UHFFFAOYSA-N
Formula
C17H21F3O4
SMILES
CCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
346.34
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Physical Properties

Property Value Unit Source
ΔfusH° 43.22 kJ/mol Joback Calculated Property
log10WS -5.43 Relay (1.0) Calculated Property
logPoct/wat 4.159 Crippen Calculated Property
McVol 246.820 ml/mol McGowan Calculated Property
Pc 1402.74 kPa Joback Calculated Property
Inp 1856.00 NIST
Tboil 563.55 K Relay (1.0) Calculated Property
Tfus 273.62 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 [716.69; 788.54] J/mol×K [741.20; 928.43] Show Hide
Cp,gas 716.69 J/mol×K 741.20 Joback Calculated Property
Cp,gas 731.00 J/mol×K 772.40 Joback Calculated Property
Cp,gas 744.34 J/mol×K 803.61 Joback Calculated Property
Cp,gas 756.75 J/mol×K 834.81 Joback Calculated Property
Cp,gas 768.23 J/mol×K 866.02 Joback Calculated Property
Cp,gas 778.82 J/mol×K 897.22 Joback Calculated Property
Cp,gas 788.54 J/mol×K 928.43 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester.

Sources

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