Chemical Properties of 2-Naphthalenol (CAS 135-19-3)

InChI

InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

InChI Key

JWAZRIHNYRIHIV-UHFFFAOYSA-N

Formula

C10H8O

SMILES

Oc1ccc2ccccc2c1

Molecular Weight¹

144.17

CAS

135-19-3

Other Names

• .beta.-hydroxynaphthalene
• .beta.-naphthol
• 2-Naftol
• 2-Naftolo
• 2-Naphtol
• 2-Napthol
• 2-hydroxynaphthalene
• 2-naphthol
• Antioxygene BN
• Azogen Developer A
• Betanaphthol
• C.I. 37500
• C.I. Azoic Coupling Component 1
• C.I. Developer 5
• Developer A
• Developer AMS
• Developer BN
• Isonaphthol
• NSC 2044
• Naphthol B
• Naphthol, «beta»
• «beta»-Hydroxynaphthalene
• «beta»-Monoxynaphthalene
• «beta»-Naftol
• «beta»-Naftolo
• «beta»-Naphthol
• «beta»-Naphthyl alcohol
• «beta»-Naphthyl hydroxide
• «beta»-Naphtol
• «beta»-Napthol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5449		Relay (1.0) Calculated Property
ΔcH°solid	[-4971.00; -4953.10]	kJ/mol
ΔcH°solid	-4954.30 ± 1.00	kJ/mol	NIST
ΔcH°solid	-4954.19 ± 0.88	kJ/mol	NIST
ΔcH°solid	-4971.00	kJ/mol	NIST
ΔcH°solid	-4953.60 ± 2.10	kJ/mol	NIST
ΔcH°solid	-4953.10 ± 2.30	kJ/mol	NIST
ΔcH°solid	-4967.20	kJ/mol	NIST
ΔfG°	97.76	kJ/mol	Joback Calculated Property
ΔfH°gas	[-30.00; -13.80]	kJ/mol
ΔfH°gas	-29.90 ± 1.70	kJ/mol	NIST
ΔfH°gas	-30.00 ± 1.10	kJ/mol	NIST
ΔfH°gas	-13.80	kJ/mol	NIST
ΔfH°solid	[-124.20; -108.00]	kJ/mol
ΔfH°solid	-124.10 ± 1.60	kJ/mol	NIST
ΔfH°solid	-124.20 ± 1.00	kJ/mol	NIST
ΔfH°solid	-108.00	kJ/mol	NIST
ΔfusH°	21.07	kJ/mol	Phase Equilibria, Crystallization, and Microstructural Studies of Naphthalen-2-ol + 1,3-Dinitrobenzene
ΔsubH°	[78.70; 94.20]	kJ/mol
ΔsubH°	85.50 ± 1.20	kJ/mol	NIST
ΔsubH°	94.20	kJ/mol	NIST
ΔsubH°	94.18 ± 0.50	kJ/mol	NIST
ΔsubH°	94.20	kJ/mol	NIST
ΔsubH°	78.70 ± 0.80	kJ/mol	NIST
ΔsubH°	83.00 ± 3.80	kJ/mol	NIST
ΔvapH°	76.20	kJ/mol	NIST
IE	[7.85; 7.90]	eV
IE	7.87 ± 0.02	eV	NIST
IE	7.89 ± 0.06	eV	NIST
IE	7.85 ± 0.05	eV	NIST
IE	7.90	eV	NIST
log10WS	[-2.28; -2.16]
log10WS	-2.27		Aq. Solubility Prediction
log10WS	-2.28		Estimated Solubility
log10WS	-2.16		Rytting (2005)
logPoct/wat	2.545		Crippen Calculated Property
McVol	114.410	ml/mol	McGowan Calculated Property
Pc	4736.62	kPa	Joback Calculated Property
Inp	[259.70; 1560.10]
Inp	1517.00		NIST
Inp	1531.00		NIST
Inp	1520.50		NIST
Inp	1520.10		NIST
Inp	1514.50		NIST
Inp	1520.50		NIST
Inp	1523.80		NIST
Inp	1560.10		NIST
Inp	1514.50		NIST
Inp	1520.50		NIST
Inp	1523.80		NIST
Inp	1520.50		NIST
Inp	1520.10		NIST
Inp	1525.00		NIST
Inp	1497.00		NIST
Inp	1536.00		NIST
Inp	1524.00		NIST
Inp	1471.00		NIST
Inp	1522.00		NIST
Inp	1525.00		NIST
Inp	Outlier 260.22		NIST
Inp	Outlier 259.70		NIST
Inp	Outlier 260.22		NIST
Inp	1517.00		NIST
Inp	Outlier 260.22		NIST
Inp	1522.00		NIST
Inp	1520.50		NIST
Inp	1560.10		NIST
Inp	1520.10		NIST
S°gas	366.60 ± 3.90	J/mol×K	NIST
S°solid,1 bar	179.00	J/mol×K	NIST
Tboil	[558.70; 568.00]	K
Tboil	558.70	K	NIST
Tboil	559.00 ± 0.40	K	NIST
Tboil	568.00 ± 0.30	K	NIST
Tc	845.83	K	Relay (1.0) Calculated Property
Tfus	[390.00; 396.98]	K
Tfus	394.30	K	The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
Tfus	396.98	K	Thermodynamic Data for Processing Naphthol with Supercritical Carbon Dioxide
Tfus	395.55	K	Aq. Solubility Prediction
Tfus	395.15 ± 2.00	K	NIST
Tfus	394.00 ± 1.00	K	NIST
Tfus	396.15 ± 1.00	K	NIST
Tfus	394.55 ± 0.20	K	NIST
Tfus	394.65 ± 0.15	K	NIST
Tfus	Outlier 390.00 ± 1.50	K	NIST
Tfus	393.00 ± 3.00	K	NIST
Tfus	395.25 ± 0.20	K	NIST
Tfus	394.00 ± 0.30	K	NIST
Ttriple	[393.80; 393.80]	K
Ttriple	393.80 ± 1.25	K	NIST
Ttriple	393.80 ± 1.25	K	NIST
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.18; 314.59]	J/mol×K	[554.48; 805.35]
Cp,gas	257.18	J/mol×K	554.48	Joback Calculated Property
Cp,gas	269.06	J/mol×K	596.29	Joback Calculated Property
Cp,gas	279.81	J/mol×K	638.10	Joback Calculated Property
Cp,gas	289.59	J/mol×K	679.91	Joback Calculated Property
Cp,gas	298.55	J/mol×K	721.72	Joback Calculated Property
Cp,gas	306.83	J/mol×K	763.54	Joback Calculated Property
Cp,gas	314.59	J/mol×K	805.35	Joback Calculated Property
Cp,solid	172.80	J/mol×K	298.00	NIST
η	[0.0000819; 0.0017549]	Pa×s	[373.30; 554.48]
η	0.0017549	Pa×s	373.30	Joback Calculated Property
η	0.0008699	Pa×s	403.50	Joback Calculated Property
η	0.0004755	Pa×s	433.69	Joback Calculated Property
η	0.0002811	Pa×s	463.89	Joback Calculated Property
η	0.0001773	Pa×s	494.09	Joback Calculated Property
η	0.0001179	Pa×s	524.28	Joback Calculated Property
η	0.0000819	Pa×s	554.48	Joback Calculated Property
ΔfusH	[18.79; 20.90]	kJ/mol	[388.00; 393.60]
ΔfusH	20.90	kJ/mol	388.00	NIST
ΔfusH	18.79	kJ/mol	393.60	NIST
ΔfusH	18.79	kJ/mol	393.60	NIST
ΔfusH	18.79	kJ/mol	393.60	NIST
ΔfusH	18.79	kJ/mol	393.60	NIST
ΔsubH	[68.20; 97.80]	kJ/mol	[283.00; 567.85]
ΔsubH	78.66 ± 0.84	kJ/mol	283.00	NIST
ΔsubH	87.40 ± 2.50	kJ/mol	300.50	NIST
ΔsubH	97.80	kJ/mol	305.00	NIST
ΔsubH	94.20 ± 0.50	kJ/mol	314.00	NIST
ΔsubH	94.20 ± 0.50	kJ/mol	314.00	NIST
ΔsubH	87.80	kJ/mol	323.00	NIST
ΔsubH	87.80	kJ/mol	323.00	NIST
ΔsubH	68.20	kJ/mol	567.85	NIST
ΔvapH	[59.70; 61.80]	kJ/mol	[481.00; 493.00]
ΔvapH	59.70	kJ/mol	481.00	NIST
ΔvapH	59.70	kJ/mol	489.00	NIST
ΔvapH	61.80	kJ/mol	493.00	NIST
ΔfusS	[55.90; 55.90]	J/mol×K	[393.60; 393.60]
ΔfusS	55.90	J/mol×K	393.60	NIST
ΔfusS	55.90	J/mol×K	393.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.65]	kPa	[413.85; 591.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59776e+01
Coefficient B			-5.69302e+03
Coefficient C			-5.75200e+01
Temperature range, min.			413.85
Temperature range, max.			591.27
Pvap	1.00	kPa	413.85	Calculated Property
Pvap	2.31	kPa	433.56	Calculated Property
Pvap	4.92	kPa	453.28	Calculated Property
Pvap	9.73	kPa	472.99	Calculated Property
Pvap	18.10	kPa	492.70	Calculated Property
Pvap	31.90	kPa	512.42	Calculated Property
Pvap	53.65	kPa	532.13	Calculated Property
Pvap	86.56	kPa	551.84	Calculated Property
Pvap	134.62	kPa	571.56	Calculated Property
Pvap	202.65	kPa	591.27	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthalenol.

Mixtures

• Ethanol + 2-Naphthalenol
• 1-Propanol + 2-Naphthalenol
• 1-Butanol + 2-Naphthalenol
• Carbon dioxide + 2-Naphthalenol
• Benzene, 1,3-dinitro- + 2-Naphthalenol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
• Thermodynamic Data for Processing Naphthol with Supercritical Carbon Dioxide
• Phase Equilibria, Crystallization, and Microstructural Studies of Naphthalen-2-ol + 1,3-Dinitrobenzene
• Densities and Viscosities of Naphthalen-1-ol, Naphthalen-2-ol, and 1-Aminonaphthalene in the Solvents of Ethanol, Propan-1-ol, and Butan-1-ol
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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