Chemical Properties of 2-Ethylbutyric acid, 3,4-difluorobenzyl ester

2-Ethylbutyric acid, 3,4-difluorobenzyl ester

InChI
InChI=1S/C13H16F2O2/c1-3-10(4-2)13(16)17-8-9-5-6-11(14)12(15)7-9/h5-7,10H,3-4,8H2,1-2H3
InChI Key
ZQNDQHKVELJCIE-UHFFFAOYSA-N
Formula
C13H16F2O2
SMILES
CCC(CC)C(=O)OCc1ccc(F)c(F)c1
Molecular Weight1
242.26
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Physical Properties

Property Value Unit Source
ΔfusH° 29.70 kJ/mol Joback Calculated Property
logPoct/wat 3.444 Crippen Calculated Property
McVol 181.250 ml/mol McGowan Calculated Property
Inp 1464.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [261.53; 588.19] 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 A2.16730e+01
Coefficient B1.01564e+00
Coefficient C-5.21920e-04
Coefficient D7.28000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 261.53 J/mol×K 273.00 Calculated Property
Cp,gas 318.88 J/mol×K 353.78 Calculated Property
Cp,gas 370.44 J/mol×K 434.56 Calculated Property
Cp,gas 416.42 J/mol×K 515.33 Calculated Property
Cp,gas 457.06 J/mol×K 596.11 Calculated Property
Cp,gas 492.59 J/mol×K 676.89 Calculated Property
Cp,gas 523.24 J/mol×K 757.67 Calculated Property
Cp,gas 549.24 J/mol×K 838.44 Calculated Property
Cp,gas 570.81 J/mol×K 919.22 Calculated Property
Cp,gas 588.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, di(3,4-difluorobenzyl) ester. Glutaric acid, 3,4-difluorobenzyl hexyl ester. Glutaric acid, 3,4-difluorobenzyl pentyl ester. Glutaric acid, di(3,4-difluorobenzyl) ester. Diethylmalonic acid, monochloride, 3,4-difluorobenzyl ester. Glutaric acid, 3,4-difluorobenzyl heptyl ester. Glutaric acid, 3,4-difluorobenzyl dodecyl ester. Glutaric acid, 3,4-difluorobenzyl undecyl ester. Glutaric acid, 3,4-difluorobenzyl nonyl ester. Glutaric acid, decyl 3,4-difluorobenzyl ester. Diethylmalonic acid, 3,4-difluorobenzyl ethyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Glutaric acid, butyl 3,4-difluorobenzyl ester. 2-Ethylbutyric acid, 3-methylbenzyl ester. Glutaric acid, 3,4-difluorobenzyl ethyl ester.

Find more compounds similar to 2-Ethylbutyric acid, 3,4-difluorobenzyl ester.

Sources

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