Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester

InChI
InChI=1S/C15H18ClFO4/c1-9(2)8-20-13(18)15(3,4)14(19)21-12-10(16)6-5-7-11(12)17/h5-7,9H,8H2,1-4H3
InChI Key
PFZBZSSTOKJGPF-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
316.75
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Physical Properties

Property Value Unit Source
ΔfusH° 32.95 kJ/mol Joback Calculated Property
logPoct/wat 3.610 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Inp [1837.00; 1837.00]   Show Hide
Inp 1837.00 NIST
Inp 1837.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [324.04; 702.15] 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 A2.75910e+01
Coefficient B1.27168e+00
Coefficient C-7.11920e-04
Coefficient D1.14800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.04 J/mol×K 273.00 Calculated Property
Cp,gas 393.46 J/mol×K 353.78 Calculated Property
Cp,gas 455.19 J/mol×K 434.56 Calculated Property
Cp,gas 509.58 J/mol×K 515.33 Calculated Property
Cp,gas 556.99 J/mol×K 596.11 Calculated Property
Cp,gas 597.79 J/mol×K 676.89 Calculated Property
Cp,gas 632.35 J/mol×K 757.67 Calculated Property
Cp,gas 661.02 J/mol×K 838.44 Calculated Property
Cp,gas 684.16 J/mol×K 919.22 Calculated Property
Cp,gas 702.15 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl octyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester.

Sources

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