Chemical Properties of 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester

2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C13H16F2O3/c1-9(5-6-17-2)8-18-13(16)11-4-3-10(14)7-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3
InChI Key
MNPVEZYRRIXDBB-UHFFFAOYSA-N
Formula
C13H16F2O3
SMILES
COCCC(C)COC(=O)c1ccc(F)cc1F
Molecular Weight1
258.26
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Physical Properties

Property Value Unit Source
ΔfusH° 30.88 kJ/mol Joback Calculated Property
logPoct/wat 2.794 Crippen Calculated Property
McVol 187.120 ml/mol McGowan Calculated Property
Inp 1624.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [276.93; 606.69] 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 A4.71730e+01
Coefficient B9.52440e-01
Coefficient C-4.10920e-04
Coefficient D1.80000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 276.93 J/mol×K 273.00 Calculated Property
Cp,gas 333.49 J/mol×K 353.78 Calculated Property
Cp,gas 384.94 J/mol×K 434.56 Calculated Property
Cp,gas 431.33 J/mol×K 515.33 Calculated Property
Cp,gas 472.73 J/mol×K 596.11 Calculated Property
Cp,gas 509.18 J/mol×K 676.89 Calculated Property
Cp,gas 540.74 J/mol×K 757.67 Calculated Property
Cp,gas 567.48 J/mol×K 838.44 Calculated Property
Cp,gas 589.44 J/mol×K 919.22 Calculated Property
Cp,gas 606.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, isohexyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, butyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-methylbutyl ester. 4-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester.

Find more compounds similar to 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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