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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [361.26; 804.13] 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 A1.89730e+01
Coefficient B1.46668e+00
Coefficient C-8.16720e-04
Coefficient D1.35200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.26 J/mol×K 273.00 Calculated Property
Cp,gas 441.62 J/mol×K 353.78 Calculated Property
Cp,gas 513.19 J/mol×K 434.56 Calculated Property
Cp,gas 576.41 J/mol×K 515.33 Calculated Property
Cp,gas 631.70 J/mol×K 596.11 Calculated Property
Cp,gas 679.48 J/mol×K 676.89 Calculated Property
Cp,gas 720.19 J/mol×K 757.67 Calculated Property
Cp,gas 754.25 J/mol×K 838.44 Calculated Property
Cp,gas 782.09 J/mol×K 919.22 Calculated Property
Cp,gas 804.13 J/mol×K 1000.00 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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