Chemical Properties of 1-Naphthaleneacetic acid, 2-chloro-6-fluorophenyl ester

1-Naphthaleneacetic acid, 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C18H12ClFO2/c19-15-9-4-10-16(20)18(15)22-17(21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChI Key
UGLDIXOMFHNHGZ-UHFFFAOYSA-N
Formula
C18H12ClFO2
SMILES
O=C(Cc1cccc2ccccc12)Oc1c(F)cccc1Cl
Molecular Weight1
314.74
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Physical Properties

Property Value Unit Source
ΔfusH° 37.96 kJ/mol Joback Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -5.76 Relay (1.0) Calculated Property
logPoct/wat 4.780 Crippen Calculated Property
McVol 218.950 ml/mol McGowan Calculated Property
Inp [2981.00; 2981.00]   Show Hide
Inp 2981.00 NIST
Inp 2981.00 NIST
Tfus 359.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [277.41; 634.46] 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 A-2.54390e+01
Coefficient B1.33760e+00
Coefficient C-8.95600e-04
Coefficient D2.17900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 277.41 J/mol×K 273.00 Calculated Property
Cp,gas 345.33 J/mol×K 353.78 Calculated Property
Cp,gas 404.58 J/mol×K 434.56 Calculated Property
Cp,gas 455.85 J/mol×K 515.33 Calculated Property
Cp,gas 499.83 J/mol×K 596.11 Calculated Property
Cp,gas 537.20 J/mol×K 676.89 Calculated Property
Cp,gas 568.66 J/mol×K 757.67 Calculated Property
Cp,gas 594.90 J/mol×K 838.44 Calculated Property
Cp,gas 616.60 J/mol×K 919.22 Calculated Property
Cp,gas 634.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Naphthaleneacetic acid, 2,3-dichlorophenyl ester. 1-Naphthaleneacetic acid, 3-chlorophenyl ester. Butyric acid, 2-phenyl-, 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-naphthylmethyl ester. Glutaric acid, naphth-2-ylmethyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl phenethyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-ethylphenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-ethylphenyl ester. Fumaric acid, 2-phenethyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl phenethyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-propylphenyl ester. Phenylacetic acid, 2-chlorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-propylphenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-phenylpropyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-isopropylphenyl ester.

Find more compounds similar to 1-Naphthaleneacetic acid, 2-chloro-6-fluorophenyl ester.

Sources

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