Chemical Properties of 2-Naphthalenecarboxylic acid

InChI

InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

InChI Key

UOBYKYZJUGYBDK-UHFFFAOYSA-N

Formula

C11H8O2

SMILES

O=C(O)c1ccc2ccccc2c1

Molecular Weight¹

172.18

Other Names

• 2-Naphthoic acid
• «beta»-Naphthoic acid
• Isonaphthoic acid
• 2-Carboxynaphthalene
• 2-Maythic acid
• 2-Naphthioic acid
• Naphthalene-«beta»-carboxylic acid
• NSC 59901
• 2-Naphthylcarboxylic acid

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Property	Value	Unit	Source
ω	0.7058		Relay (1.0) Calculated Property
ΔcH°solid	[-5138.00; -5125.90]	kJ/mol
ΔcH°solid	-5138.00 ± 7.20	kJ/mol	NIST
ΔcH°solid	-5125.90 ± 1.40	kJ/mol	NIST
ΔcH°solid	-5125.90 ± 1.40	kJ/mol	NIST
ΔfG°	-92.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.50 ± 1.70	kJ/mol	NIST
ΔfH°solid	-346.10 ± 1.50	kJ/mol	NIST
ΔfusH°	25.06	kJ/mol	Joback Calculated Property
ΔsubH°	[113.60; 117.20]	kJ/mol
ΔsubH°	113.60	kJ/mol	NIST
ΔsubH°	117.19	kJ/mol	NIST
ΔsubH°	117.20	kJ/mol	NIST
ΔvapH°	100.80	kJ/mol	Relay (1.0) Calculated Property
IE	[8.26; 8.26]	eV
IE	8.26	eV	NIST
IE	8.26	eV	NIST
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	130.070	ml/mol	McGowan Calculated Property
Pc	3791.65	kPa	Joback Calculated Property
Inp	[289.55; 289.55]
Inp	289.55		NIST
Inp	289.55		NIST
Tboil	603.73	K	Relay (1.0) Calculated Property
Tc	898.89	K	Relay (1.0) Calculated Property
Tfus	[457.20; 458.75]	K
Tfus	458.15 ± 2.00	K	NIST
Tfus	457.20 ± 1.50	K	NIST
Tfus	457.56 ± 0.35	K	NIST
Tfus	458.75 ± 0.25	K	NIST
Tfus	458.00 ± 3.00	K	NIST
Vc	0.474	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[23.54; 23.54]	kJ/mol	[460.20; 460.20]
ΔfusH	23.54	kJ/mol	460.20	NIST
ΔfusH	23.54	kJ/mol	460.20	NIST
ΔsubH	[113.60; 113.60]	kJ/mol	[355.00; 355.60]
ΔsubH	113.60 ± 0.80	kJ/mol	355.00	NIST
ΔsubH	113.60 ± 0.79	kJ/mol	355.60	NIST
ΔvapH	98.90	kJ/mol	522.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.75; 385.26]	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			-5.35600e+01
Coefficient B			9.57500e-01
Coefficient C			-7.48080e-04
Coefficient D			2.29400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.75	J/mol×K	273.00	Calculated Property
Cp,gas	201.71	J/mol×K	353.78	Calculated Property
Cp,gas	240.09	J/mol×K	434.56	Calculated Property
Cp,gas	272.60	J/mol×K	515.33	Calculated Property
Cp,gas	299.98	J/mol×K	596.11	Calculated Property
Cp,gas	322.95	J/mol×K	676.89	Calculated Property
Cp,gas	342.24	J/mol×K	757.67	Calculated Property
Cp,gas	358.57	J/mol×K	838.44	Calculated Property
Cp,gas	372.67	J/mol×K	919.22	Calculated Property
Cp,gas	385.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010289; 0.0003596]	Pa×s	[457.93; 625.16]	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			-1.08094e+01
Coefficient B			1.79974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			457.93
Temperature range, max.			625.16
η	0.0010289	Pa×s	457.93	Calculated Property
η	0.0008827	Pa×s	476.51	Calculated Property
η	0.0007660	Pa×s	495.09	Calculated Property
η	0.0006716	Pa×s	513.67	Calculated Property
η	0.0005943	Pa×s	532.26	Calculated Property
η	0.0005303	Pa×s	550.84	Calculated Property
η	0.0004766	Pa×s	569.42	Calculated Property
η	0.0004313	Pa×s	588.00	Calculated Property
η	0.0003927	Pa×s	606.58	Calculated Property
η	0.0003596	Pa×s	625.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthalenecarboxylic acid.

Sources

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

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