Chemical Properties of 2-Nitro-1-naphthol (CAS 607-24-9)

InChI

InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H

InChI Key

MUCCHGOWMZTLHK-UHFFFAOYSA-N

Formula

C10H7NO3

SMILES

O=[N+]([O-])c1ccc2ccccc2c1O

Molecular Weight¹

189.17

CAS

607-24-9

Other Names

• 1-Naphthalenol, 2-nitro-
• 1-Naphthol, 2-nitro-
• 1-Hydroxy-2-nitronaphthalene
• 2-Nitro-naphthalen-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfH°gas	-55.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.47	kJ/mol	Joback Calculated Property
ΔvapH°	86.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-3.35		Relay (1.0) Calculated Property
logPoct/wat	2.454		Crippen Calculated Property
McVol	131.830	ml/mol	McGowan Calculated Property
Inp	[287.20; 287.20]
Inp	287.20		NIST
Inp	287.20		NIST
Tboil	582.70	K	Relay (1.0) Calculated Property
Tc	919.34	K	Relay (1.0) Calculated Property
Tfus	387.49	K	Relay (1.0) Calculated Property
Vc	0.453	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.97; 391.54]	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			-6.06800e+01
Coefficient B			1.06566e+00
Coefficient C			-9.55840e-04
Coefficient D			3.42400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.97	J/mol×K	273.00	Calculated Property
Cp,gas	211.86	J/mol×K	353.78	Calculated Property
Cp,gas	250.01	J/mol×K	434.56	Calculated Property
Cp,gas	281.51	J/mol×K	515.33	Calculated Property
Cp,gas	307.45	J/mol×K	596.11	Calculated Property
Cp,gas	328.90	J/mol×K	676.89	Calculated Property
Cp,gas	346.95	J/mol×K	757.67	Calculated Property
Cp,gas	362.69	J/mol×K	838.44	Calculated Property
Cp,gas	377.19	J/mol×K	919.22	Calculated Property
Cp,gas	391.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nitro-1-naphthol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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