Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester

3-Chloro-2-fluorobenzoic acid, 2-methylpentyl ester

InChI
InChI=1S/C13H16ClFO2/c1-3-5-9(2)8-17-13(16)10-6-4-7-11(14)12(10)15/h4,6-7,9H,3,5,8H2,1-2H3
InChI Key
OHLHFIVCYOSEQR-UHFFFAOYSA-N
Formula
C13H16ClFO2
SMILES
CCCC(C)COC(=O)c1cccc(Cl)c1F
Molecular Weight1
258.72
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Physical Properties

Property Value Unit Source
ΔfusH° 30.81 kJ/mol Joback Calculated Property
log10WS -5.23 Relay (1.0) Calculated Property
logPoct/wat 4.072 Crippen Calculated Property
McVol 191.720 ml/mol McGowan Calculated Property
Pc 2003.70 kPa Joback Calculated Property
Inp 1745.00 NIST
Tboil 563.56 K Relay (1.0) Calculated Property
Tfus 239.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [474.68; 548.42] J/mol×K [628.16; 829.51] Show Hide
Cp,gas 474.68 J/mol×K 628.16 Joback Calculated Property
Cp,gas 489.03 J/mol×K 661.72 Joback Calculated Property
Cp,gas 502.52 J/mol×K 695.28 Joback Calculated Property
Cp,gas 515.19 J/mol×K 728.83 Joback Calculated Property
Cp,gas 527.06 J/mol×K 762.39 Joback Calculated Property
Cp,gas 538.13 J/mol×K 795.95 Joback Calculated Property
Cp,gas 548.42 J/mol×K 829.51 Joback Calculated Property

Similar Compounds

3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester. 3-Chloro-2-fluorobenzoic acid, cyclohexylmethyl ester. 3-Chloro-2-fluorobenzoic acid, isohexyl ester. 3-Chloro-2-fluorobenzoic acid, 2-methylbutyl ester. 3-Chloro-2-fluorobenzoic acid, pentyl ester. 3-Chloro-2-fluorobenzoic acid, hexyl ester. 3-Chloro-2-fluorobenzoic acid, nonyl ester. 3-Chloro-2-fluorobenzoic acid, dodecyl ester. 3-Chloro-2-fluorobenzoic acid, tridecyl ester. 3-Chloro-2-fluorobenzoic acid, octyl ester. 3-Chloro-2-fluorobenzoic acid, tetradecyl ester. 3-Chloro-2-fluorobenzoic acid, decyl ester. 3-Chloro-2-fluorobenzoic acid, heptyl ester. 3-Chloro-2-fluorobenzoic acid, undecyl ester. 3-Chloro-2-fluorobenzoic acid, 4-methoxy-2-methylbutyl ester.

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

Sources

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