Chemical Properties of 1,2-Dihydroxynaphthalene (CAS 574-00-5)

InChI

InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H

InChI Key

NXPPAOGUKPJVDI-UHFFFAOYSA-N

Formula

C10H8O2

SMILES

Oc1ccc2ccccc2c1O

Molecular Weight¹

160.17

CAS

574-00-5

Other Names

• 1,2-Naphthalenediol
• naphthalene-1,2-diol

• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (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	0.3000		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°solid	-4768.60 ± 1.00	kJ/mol	NIST
ΔfH°gas	-200.50 ± 1.80	kJ/mol	NIST
ΔfH°solid	-309.80 ± 1.60	kJ/mol	NIST
ΔfusH°	24.28	kJ/mol	Joback Calculated Property
ΔsubH°	[109.30; 109.30]	kJ/mol
ΔsubH°	109.30 ± 0.90	kJ/mol	NIST
ΔsubH°	109.30	kJ/mol	NIST
ΔsubH°	109.30 ± 0.90	kJ/mol	NIST
ΔvapH°	102.29	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-2.02		Relay (1.0) Calculated Property
logPoct/wat	2.251		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Pc	3505.85	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tboil	584.03	K	Relay (1.0) Calculated Property
Tc	718.59	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	425.76	K	Relay (1.0) Calculated Property
Vc	0.450	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.14; 370.77]	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			-8.93900e+01
Coefficient B			1.18040e+00
Coefficient C			-1.20084e-03
Coefficient D			4.80600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.14	J/mol×K	273.00	Calculated Property
Cp,gas	199.19	J/mol×K	353.78	Calculated Property
Cp,gas	236.23	J/mol×K	434.56	Calculated Property
Cp,gas	265.78	J/mol×K	515.33	Calculated Property
Cp,gas	289.35	J/mol×K	596.11	Calculated Property
Cp,gas	308.46	J/mol×K	676.89	Calculated Property
Cp,gas	324.64	J/mol×K	757.67	Calculated Property
Cp,gas	339.41	J/mol×K	838.44	Calculated Property
Cp,gas	354.28	J/mol×K	919.22	Calculated Property
Cp,gas	370.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001338; 0.0000859]	Pa×s	[485.02; 503.01]	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			-2.13178e+01
Coefficient B			6.01346e+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.			485.02
Temperature range, max.			503.01
η	0.0001338	Pa×s	485.02	Calculated Property
η	0.0001271	Pa×s	487.02	Calculated Property
η	0.0001209	Pa×s	489.02	Calculated Property
η	0.0001150	Pa×s	491.02	Calculated Property
η	0.0001094	Pa×s	493.02	Calculated Property
η	0.0001041	Pa×s	495.02	Calculated Property
η	0.0000992	Pa×s	497.02	Calculated Property
η	0.0000945	Pa×s	499.01	Calculated Property
η	0.0000900	Pa×s	501.01	Calculated Property
η	0.0000859	Pa×s	503.01	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dihydroxynaphthalene.

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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