Chemical Properties of Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester

Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester

InChI
InChI=1S/C17H22F2O4/c1-11(2)6-5-7-22-15(20)17(3,4)16(21)23-14-9-12(18)8-13(19)10-14/h8-11H,5-7H2,1-4H3
InChI Key
AVWHHQIIRJTIKO-UHFFFAOYSA-N
Formula
C17H22F2O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1cc(F)cc(F)c1
Molecular Weight1
328.35
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Physical Properties

Property Value Unit Source
ΔfusH° 37.01 kJ/mol Joback Calculated Property
logPoct/wat 3.876 Crippen Calculated Property
McVol 245.050 ml/mol McGowan Calculated Property
Inp [1771.00; 1771.00]   Show Hide
Inp 1771.00 NIST
Inp 1771.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [710.18; 785.66] J/mol×K [736.51; 931.02] Show Hide
Cp,gas 710.18 J/mol×K 736.51 Joback Calculated Property
Cp,gas 725.32 J/mol×K 768.93 Joback Calculated Property
Cp,gas 739.40 J/mol×K 801.35 Joback Calculated Property
Cp,gas 752.45 J/mol×K 833.77 Joback Calculated Property
Cp,gas 764.49 J/mol×K 866.18 Joback Calculated Property
Cp,gas 775.55 J/mol×K 898.60 Joback Calculated Property
Cp,gas 785.66 J/mol×K 931.02 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 3,5-difluorophenyl pentyl ester. Dimethylmalonic acid, isohexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, butyl 3,5-difluorophenyl ester. Dimethylmalonic acid, 4-chlorophenyl isohexyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, 3,5-difluorophenyl isohexyl ester.

Sources

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