Chemical Properties of 3-Fluorobenzoic acid, 2-methylpentyl ester

3-Fluorobenzoic acid, 2-methylpentyl ester

InChI
InChI=1S/C13H17FO2/c1-3-5-10(2)9-16-13(15)11-6-4-7-12(14)8-11/h4,6-8,10H,3,5,9H2,1-2H3
InChI Key
POAIQFAYNHZCNV-UHFFFAOYSA-N
Formula
C13H17FO2
SMILES
CCCC(C)COC(=O)c1cccc(F)c1
Molecular Weight1
224.27
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Physical Properties

Property Value Unit Source
ΔfusH° 27.00 kJ/mol Joback Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
logPoct/wat 3.419 Crippen Calculated Property
McVol 179.480 ml/mol McGowan Calculated Property
Inp 1539.00 NIST
Tboil 540.59 K Relay (1.0) Calculated Property
Tfus 223.76 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 [446.20; 526.78] J/mol×K [585.75; 782.15] Show Hide
Cp,gas 446.20 J/mol×K 585.75 Joback Calculated Property
Cp,gas 461.71 J/mol×K 618.48 Joback Calculated Property
Cp,gas 476.37 J/mol×K 651.22 Joback Calculated Property
Cp,gas 490.19 J/mol×K 683.95 Joback Calculated Property
Cp,gas 503.18 J/mol×K 716.69 Joback Calculated Property
Cp,gas 515.37 J/mol×K 749.42 Joback Calculated Property
Cp,gas 526.78 J/mol×K 782.15 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, 2-ethylhexyl ester. 4-Fluorobenzoic acid, 2-methylpentyl ester. 3,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2,5-Difluorobenzoic acid, 2-ethylhexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 2,4-Difluorobenzoic acid, 2-methylpentyl ester. 2,5-Difluorobenzoic acid, cyclohexylmethyl ester. Benzoic acid 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 2,4-Difluorobenzoic acid, 2-ethylhexyl ester. Isophthalic acid, isohexyl 2-methylbutyl ester. 2,4-Difluorobenzoic acid, cyclohexylmethyl ester. 2,5-Difluorobenzoic acid, isohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexylmethyl ester.

Find more compounds similar to 3-Fluorobenzoic acid, 2-methylpentyl ester.

Sources

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