Chemical Properties of 2-Naphthyl benzoate (CAS 93-44-7)

InChI

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

InChI Key

DWJIJRSTYFPKGD-UHFFFAOYSA-N

Formula

C17H12O2

SMILES

O=C(Oc1ccc2ccccc2c1)c1ccccc1

Molecular Weight¹

248.28

CAS

93-44-7

Other Names

• 2-Benzoyloxynaphthalene
• 2-Naphthalenol, 2-benzoate
• 2-Naphthalenol, benzoate
• 2-Naphthol, benzoate
• Benzoic acid 2-naphthyl ester
• Benzoic acid, 2-naphthyl ester
• Benzoic acid, beta-naphthyl ester
• Benzonaphthol
• Betabenzon
• NSC 5537
• «beta»-Naphthol benzoate
• «beta»-Naphthyl benzoate

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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

Property	Value	Unit	Source
ω	0.6517		Relay (1.0) Calculated Property
ΔcH°solid	-8219.90 ± 3.30	kJ/mol	NIST
ΔfH°gas	-66.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.87	kJ/mol	Joback Calculated Property
ΔvapH°	99.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	NIST
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.059		Crippen Calculated Property
McVol	190.850	ml/mol	McGowan Calculated Property
Pc	2621.78	kPa	Joback Calculated Property
Tboil	658.56	K	Relay (1.0) Calculated Property
Tc	965.73	K	Relay (1.0) Calculated Property
Tfus	[380.15; 381.20]	K
Tfus	380.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	381.20 ± 0.50	K	NIST
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

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	[26.23; 26.23]	kJ/mol	[381.20; 381.20]
ΔfusH	26.23	kJ/mol	381.20	NIST
ΔfusH	26.23	kJ/mol	381.20	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	[0.0021854; 0.0002064]	Pa×s	[380.67; 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.			380.67
Temperature range, max.			685.82
η	0.0021854	Pa×s	380.67	Calculated Property
η	0.0014163	Pa×s	414.58	Calculated Property
η	0.0009801	Pa×s	448.48	Calculated Property
η	0.0007143	Pa×s	482.39	Calculated Property
η	0.0005426	Pa×s	516.29	Calculated Property
η	0.0004264	Pa×s	550.20	Calculated Property
η	0.0003446	Pa×s	584.10	Calculated Property
η	0.0002851	Pa×s	618.01	Calculated Property
η	0.0002406	Pa×s	651.91	Calculated Property
η	0.0002064	Pa×s	685.82	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthyl benzoate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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