Chemical Properties of 1-Naphthalenol, benzoate

InChI

InChI=1S/C17H12O2/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H

InChI Key

KZWCTFLBFSWYHS-UHFFFAOYSA-N

Formula

C17H12O2

SMILES

O=C(Oc1cccc2ccccc12)c1ccccc1

Molecular Weight¹

248.28

Other Names

• 1-Naphthol, benzoate
• 1-Naphthyl benzoate
• Benzoic acid, 1-naphthyl ester

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[16.98; 16.98]	kJ/mol	[329.20; 329.20]
ΔfusH	16.98	kJ/mol	329.20	NIST
ΔfusH	16.98	kJ/mol	329.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.49; 573.61]	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			-7.21100e+01
Coefficient B			1.34300e+00
Coefficient C			-9.38480e-04
Coefficient D			2.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.49	J/mol×K	273.00	Calculated Property
Cp,gas	296.23	J/mol×K	353.78	Calculated Property
Cp,gas	354.07	J/mol×K	434.56	Calculated Property
Cp,gas	403.76	J/mol×K	515.33	Calculated Property
Cp,gas	446.07	J/mol×K	596.11	Calculated Property
Cp,gas	481.77	J/mol×K	676.89	Calculated Property
Cp,gas	511.60	J/mol×K	757.67	Calculated Property
Cp,gas	536.35	J/mol×K	838.44	Calculated Property
Cp,gas	556.76	J/mol×K	919.22	Calculated Property
Cp,gas	573.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050268; 0.0002064]	Pa×s	[329.00; 685.82]	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			-1.14294e+01
Coefficient B			2.01890e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			329.00
Temperature range, max.			685.82
η	0.0050268	Pa×s	329.00	Calculated Property
η	0.0025983	Pa×s	368.65	Calculated Property
η	0.0015266	Pa×s	408.29	Calculated Property
η	0.0009855	Pa×s	447.94	Calculated Property
η	0.0006831	Pa×s	487.58	Calculated Property
η	0.0005004	Pa×s	527.23	Calculated Property
η	0.0003828	Pa×s	566.88	Calculated Property
η	0.0003033	Pa×s	606.52	Calculated Property
η	0.0002473	Pa×s	646.17	Calculated Property
η	0.0002064	Pa×s	685.82	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenol, benzoate.

Sources

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

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