Chemical Properties of o-Anisic acid, 2-naphthyl ester

InChI

InChI=1S/C18H14O3/c1-20-17-9-5-4-8-16(17)18(19)21-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3

InChI Key

PKZABVXLQDDLKF-UHFFFAOYSA-N

Formula

C18H14O3

SMILES

COc1ccccc1C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

278.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[268.66; 640.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.32200e+01
Coefficient B			1.31532e+00
Coefficient C			-8.14840e-04
Coefficient D			1.73400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.66	J/mol×K	273.00	Calculated Property
Cp,gas	337.80	J/mol×K	353.78	Calculated Property
Cp,gas	398.72	J/mol×K	434.56	Calculated Property
Cp,gas	451.94	J/mol×K	515.33	Calculated Property
Cp,gas	498.04	J/mol×K	596.11	Calculated Property
Cp,gas	537.54	J/mol×K	676.89	Calculated Property
Cp,gas	571.01	J/mol×K	757.67	Calculated Property
Cp,gas	598.98	J/mol×K	838.44	Calculated Property
Cp,gas	622.02	J/mol×K	919.22	Calculated Property
Cp,gas	640.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007948; 0.0001583]	Pa×s	[467.76; 714.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18063e+01
Coefficient B			2.18389e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			467.76
Temperature range, max.			714.81
η	0.0007948	Pa×s	467.76	Calculated Property
η	0.0006136	Pa×s	495.21	Calculated Property
η	0.0004867	Pa×s	522.66	Calculated Property
η	0.0003951	Pa×s	550.11	Calculated Property
η	0.0003272	Pa×s	577.56	Calculated Property
η	0.0002756	Pa×s	605.01	Calculated Property
η	0.0002356	Pa×s	632.46	Calculated Property
η	0.0002041	Pa×s	659.91	Calculated Property
η	0.0001788	Pa×s	687.36	Calculated Property
η	0.0001583	Pa×s	714.81	Calculated Property

Similar Compounds

Find more compounds similar to o-Anisic acid, 2-naphthyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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