Chemical Properties of 1-Naphthalenol (CAS 90-15-3)

InChI

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

InChI Key

KJCVRFUGPWSIIH-UHFFFAOYSA-N

Formula

C10H8O

SMILES

Oc1cccc2ccccc12

Molecular Weight¹

144.17

CAS

90-15-3

Other Names

• .alpha.-naphthol
• 1-Napthol
• 1-hydroxynaphthalene
• 1-naphthol
• Basf Ursol ERN
• C.I. 76605
• C.I. Oxidation Base 33
• Durafur Developer D
• Fouramine ERN
• Fourrine 99
• Fourrine ERN
• Furro ER
• NSC 9586
• Nako TRB
• Tertral ERN
• Ursol ERN
• Zoba ERN
• «alpha»-Hydroxynaphthalene
• «alpha»-Naphthol

• 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).
• 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	0.5363		Relay (1.0) Calculated Property
ΔcH°solid	[-4983.00; -4951.10]	kJ/mol
ΔcH°solid	-4951.10 ± 4.90	kJ/mol	NIST
ΔcH°solid	-4956.40 ± 0.80	kJ/mol	NIST
ΔcH°solid	-4957.33 ± 0.88	kJ/mol	NIST
ΔcH°solid	Outlier -4983.00	kJ/mol	NIST
ΔcH°solid	-4965.60 ± 2.10	kJ/mol	NIST
ΔcH°solid	-4959.70	kJ/mol	NIST
ΔfG°	97.76	kJ/mol	Joback Calculated Property
ΔfH°gas	[-30.80; -4.30]	kJ/mol
ΔfH°gas	-30.80 ± 1.60	kJ/mol	NIST
ΔfH°gas	-29.90 ± 1.10	kJ/mol	NIST
ΔfH°gas	-4.30	kJ/mol	NIST
ΔfH°solid	[-122.00; -95.40]	kJ/mol
ΔfH°solid	-122.00 ± 1.50	kJ/mol	NIST
ΔfH°solid	-121.00 ± 1.00	kJ/mol	NIST
ΔfH°solid	-95.40	kJ/mol	NIST
ΔfusH°	18.50	kJ/mol	Joback Calculated Property
ΔsubH°	[91.10; 91.50]	kJ/mol
ΔsubH°	91.20	kJ/mol	NIST
ΔsubH°	91.17 ± 0.42	kJ/mol	NIST
ΔsubH°	91.10	kJ/mol	NIST
ΔsubH°	91.50 ± 3.80	kJ/mol	NIST
ΔsubH°	91.17 ± 0.42	kJ/mol	NIST
ΔsubH°	91.10	kJ/mol	NIST
ΔsubH°	91.50 ± 3.80	kJ/mol	NIST
ΔvapH°	75.00	kJ/mol	Relay (1.0) Calculated Property
IE	[7.76; 7.78]	eV
IE	7.76 ± 0.03	eV	NIST
IE	7.76 ± 0.03	eV	NIST
IE	7.78	eV	NIST
log10WS	[-2.22; -2.08]
log10WS	-2.08		Aq. Solubility Prediction
log10WS	-2.22		Estimated Solubility
logPoct/wat	2.545		Crippen Calculated Property
McVol	114.410	ml/mol	McGowan Calculated Property
Pc	4736.62	kPa	Joback Calculated Property
Inp	[258.48; 1525.00]
Inp	1517.00		NIST
Inp	1487.00		NIST
Inp	1484.00		NIST
Inp	1517.00		NIST
Inp	1494.00		NIST
Inp	1510.00		NIST
Inp	1517.00		NIST
Inp	1473.70		NIST
Inp	1494.90		NIST
Inp	1516.00		NIST
Inp	1504.00		NIST
Inp	1525.00		NIST
Inp	1464.00		NIST
Inp	1514.00		NIST
Inp	1516.00		NIST
Inp	1490.00		NIST
Inp	259.66		NIST
Inp	258.48		NIST
Inp	258.50		NIST
Inp	258.80		NIST
Inp	259.66		NIST
Inp	1504.00		NIST
Inp	1494.00		NIST
Inp	1514.00		NIST
Tboil	[552.20; 561.16]	K
Tboil	552.20	K	NIST
Tboil	553.15	K	NIST
Tboil	561.16 ± 0.15	K	NIST
Tc	833.93	K	Relay (1.0) Calculated Property
Tfus	[367.15; 370.54]	K
Tfus	367.90	K	The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
Tfus	Outlier 370.54	K	Thermodynamic Data for Processing Naphthol with Supercritical Carbon Dioxide
Tfus	368.65	K	Aq. Solubility Prediction
Tfus	368.02 ± 0.20	K	NIST
Tfus	367.15 ± 1.50	K	NIST
Tfus	369.15	K	NIST
Tfus	369.00 ± 2.00	K	NIST
Tfus	368.35 ± 0.25	K	NIST
Tfus	368.50 ± 0.20	K	NIST
Tfus	369.00 ± 1.50	K	NIST
Tfus	369.05 ± 0.20	K	NIST
Tfus	367.15 ± 2.00	K	NIST
Tfus	367.15 ± 1.50	K	NIST
Ttriple	[368.20; 368.49]	K
Ttriple	368.49	K	Thermodynamic properties of 1-naphthol: Mutual validation of experimental and computational results
Ttriple	368.20 ± 0.30	K	NIST
Ttriple	368.20 ± 0.30	K	NIST
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[166.90; 285.00]	J/mol×K	[298.00; 393.00]
Cp,solid	166.90	J/mol×K	298.00	NIST
Cp,solid	285.00	J/mol×K	393.00	NIST
ΔfusH	[23.01; 24.40]	kJ/mol	[368.20; 369.70]
ΔfusH	23.47	kJ/mol	368.20	NIST
ΔfusH	23.47	kJ/mol	368.20	NIST
ΔfusH	23.47	kJ/mol	368.20	NIST
ΔfusH	23.47	kJ/mol	368.20	NIST
ΔfusH	23.30	kJ/mol	368.70	NIST
ΔfusH	23.01	kJ/mol	369.00	NIST
ΔfusH	23.22	kJ/mol	369.00	NIST
ΔfusH	24.40	kJ/mol	369.70	NIST
ΔsubH	[71.50; 93.30]	kJ/mol	[303.50; 561.01]
ΔsubH	89.10 ± 1.70	kJ/mol	303.50	NIST
ΔsubH	91.20 ± 0.40	kJ/mol	304.50	NIST
ΔsubH	91.20 ± 0.40	kJ/mol	304.50	NIST
ΔsubH	93.30	kJ/mol	305.00	NIST
ΔsubH	84.30	kJ/mol	319.00	NIST
ΔsubH	84.30	kJ/mol	319.00	NIST
ΔsubH	71.50	kJ/mol	561.01	NIST
ΔvapH	[58.50; 60.80]	kJ/mol	[477.50; 493.00]
ΔvapH	58.50	kJ/mol	477.50	NIST
ΔvapH	60.80	kJ/mol	493.00	NIST
ΔfusS	[62.90; 63.60]	J/mol×K	[368.20; 369.00]
ΔfusS	63.60	J/mol×K	368.20	NIST
ΔfusS	63.60	J/mol×K	368.20	NIST
ΔfusS	62.90	J/mol×K	369.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.25; 348.35]	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			-8.04700e+01
Coefficient B			1.02580e+00
Coefficient C			-9.44480e-04
Coefficient D			3.47500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.25	J/mol×K	273.00	Calculated Property
Cp,gas	179.61	J/mol×K	353.78	Calculated Property
Cp,gas	215.46	J/mol×K	434.56	Calculated Property
Cp,gas	244.89	J/mol×K	515.33	Calculated Property
Cp,gas	269.01	J/mol×K	596.11	Calculated Property
Cp,gas	288.91	J/mol×K	676.89	Calculated Property
Cp,gas	305.70	J/mol×K	757.67	Calculated Property
Cp,gas	320.47	J/mol×K	838.44	Calculated Property
Cp,gas	334.32	J/mol×K	919.22	Calculated Property
Cp,gas	348.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019955; 0.0000737]	Pa×s	[368.26; 563.95]	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			-1.57230e+01
Coefficient B			3.50068e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			368.26
Temperature range, max.			563.95
η	0.0019955	Pa×s	368.26	Calculated Property
η	0.0011746	Pa×s	390.00	Calculated Property
η	0.0007312	Pa×s	411.74	Calculated Property
η	0.0004773	Pa×s	433.49	Calculated Property
η	0.0003246	Pa×s	455.23	Calculated Property
η	0.0002286	Pa×s	476.97	Calculated Property
η	0.0001660	Pa×s	498.72	Calculated Property
η	0.0001238	Pa×s	520.46	Calculated Property
η	0.0000945	Pa×s	542.20	Calculated Property
η	0.0000737	Pa×s	563.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.99; 202.63]	kPa	[410.35; 586.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39840e+01
Coefficient B			-4.01524e+03
Coefficient C			-1.23482e+02
Temperature range, min.			410.35
Temperature range, max.			586.46
Pvap	0.99	kPa	410.35	Calculated Property
Pvap	2.41	kPa	429.92	Calculated Property
Pvap	5.30	kPa	449.49	Calculated Property
Pvap	10.64	kPa	469.05	Calculated Property
Pvap	19.84	kPa	488.62	Calculated Property
Pvap	34.71	kPa	508.19	Calculated Property
Pvap	57.52	kPa	527.76	Calculated Property
Pvap	90.98	kPa	547.32	Calculated Property
Pvap	138.20	kPa	566.89	Calculated Property
Pvap	202.63	kPa	586.46	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenol.

Mixtures

• 1-Naphthalenol + Ethanol
• 1-Propanol + 1-Naphthalenol
• 1-Naphthalenol + 1-Butanol
• 1-Naphthalenol + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Thermodynamic properties of 1-naphthol: Mutual validation of experimental and computational results
• 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
• 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
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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