Chemical Properties of 1-Naphthoic acid, 3-ethylphenyl ester

InChI

InChI=1S/C19H16O2/c1-2-14-7-5-10-16(13-14)21-19(20)18-12-6-9-15-8-3-4-11-17(15)18/h3-13H,2H2,1H3

InChI Key

VGMQRDQOHOKUKQ-UHFFFAOYSA-N

Formula

C19H16O2

SMILES

CCc1cccc(OC(=O)c2cccc3ccccc23)c1

Molecular Weight¹

276.33

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.47; 673.75]	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			-5.96290e+01
Coefficient B			1.47352e+00
Coefficient C			-9.80240e-04
Coefficient D			2.40100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.47	J/mol×K	273.00	Calculated Property
Cp,gas	349.62	J/mol×K	353.78	Calculated Property
Cp,gas	415.29	J/mol×K	434.56	Calculated Property
Cp,gas	472.26	J/mol×K	515.33	Calculated Property
Cp,gas	521.29	J/mol×K	596.11	Calculated Property
Cp,gas	563.12	J/mol×K	676.89	Calculated Property
Cp,gas	598.52	J/mol×K	757.67	Calculated Property
Cp,gas	628.26	J/mol×K	838.44	Calculated Property
Cp,gas	653.08	J/mol×K	919.22	Calculated Property
Cp,gas	673.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010011; 0.0001826]	Pa×s	[456.80; 714.28]	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			-1.16264e+01
Coefficient B			2.15596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.80
Temperature range, max.			714.28
η	0.0010011	Pa×s	456.80	Calculated Property
η	0.0007580	Pa×s	485.41	Calculated Property
η	0.0005920	Pa×s	514.02	Calculated Property
η	0.0004745	Pa×s	542.63	Calculated Property
η	0.0003889	Pa×s	571.24	Calculated Property
η	0.0003248	Pa×s	599.84	Calculated Property
η	0.0002758	Pa×s	628.45	Calculated Property
η	0.0002375	Pa×s	657.06	Calculated Property
η	0.0002071	Pa×s	685.67	Calculated Property
η	0.0001826	Pa×s	714.28	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 3-ethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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