Chemical Properties of 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester

3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI
InChI=1S/C13H17FO3/c1-10(6-7-16-2)9-17-13(15)11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9H2,1-2H3
InChI Key
BZIRZKZQTYWOSX-UHFFFAOYSA-N
Formula
C13H17FO3
SMILES
COCCC(C)COC(=O)c1cccc(F)c1
Molecular Weight1
240.27
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Physical Properties

Property Value Unit Source
ΔfusH° 26.61 kJ/mol Joback Calculated Property
IE 9.10 eV Relay (1.0) Calculated Property
logPoct/wat 2.655 Crippen Calculated Property
McVol 185.350 ml/mol McGowan Calculated Property
Tboil 561.47 K Relay (1.0) Calculated Property
Tfus 238.47 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [477.93; 555.60] J/mol×K [626.04; 823.10] Show Hide
Cp,gas 477.93 J/mol×K 626.04 Joback Calculated Property
Cp,gas 492.83 J/mol×K 658.88 Joback Calculated Property
Cp,gas 506.94 J/mol×K 691.73 Joback Calculated Property
Cp,gas 520.26 J/mol×K 724.57 Joback Calculated Property
Cp,gas 532.81 J/mol×K 757.41 Joback Calculated Property
Cp,gas 544.59 J/mol×K 790.26 Joback Calculated Property
Cp,gas 555.60 J/mol×K 823.10 Joback Calculated Property

Similar Compounds

4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2,4-Difluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluorobenzoic acid, 3-methylbutyl ester. 3-Fluorobenzoic acid, 2-methylpentyl ester. Benzoic acid, 3-methyl-, 4-methoxy-2-methylbutyl ester. 3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester. 4-Methylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Bromobenzoic acid, 4-methoxy-2-methylbutyl ester. 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester. 2-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. Isophthalic acid, butyl 2-methylbutyl ester.

Find more compounds similar to 3-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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