Chemical Properties of Naphthalene, 2-methyl-1-nitro- (CAS 881-03-8)

InChI

InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3

InChI Key

IZNWACYOILBFEG-UHFFFAOYSA-N

Formula

C11H9NO2

SMILES

Cc1ccc2ccccc2c1[N+](=O)[O-]

Molecular Weight¹

187.19

CAS

881-03-8

Other Names

• 1-Nitro-2-methylnaphthalene
• 2-Methyl-1-nitronaphthalene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5394		Relay (1.0) Calculated Property
EA	1.03 ± 0.10	eV	NIST
ΔfG°	277.09	kJ/mol	Joback Calculated Property
ΔfH°gas	104.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.89	kJ/mol	Joback Calculated Property
ΔvapH°	71.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Aq. Solubility Prediction
logPoct/wat	3.056		Crippen Calculated Property
McVol	140.050	ml/mol	McGowan Calculated Property
Pc	3395.98	kPa	Joback Calculated Property
Inp	[272.09; 278.74]
Inp	278.74		NIST
Inp	278.45		NIST
Inp	Outlier 272.09		NIST
Inp	278.52		NIST
Inp	276.89		NIST
Inp	275.80		NIST
Inp	278.74		NIST
Tboil	596.80	K	Relay (1.0) Calculated Property
Tc	880.62	K	Relay (1.0) Calculated Property
Tfus	354.65	K	Aq. Solubility Prediction
Vc	0.495	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.85; 417.67]	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			-3.83700e+01
Coefficient B			9.46580e-01
Coefficient C			-6.86840e-04
Coefficient D			1.96300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.85	J/mol×K	273.00	Calculated Property
Cp,gas	219.24	J/mol×K	353.78	Calculated Property
Cp,gas	259.38	J/mol×K	434.56	Calculated Property
Cp,gas	293.90	J/mol×K	515.33	Calculated Property
Cp,gas	323.41	J/mol×K	596.11	Calculated Property
Cp,gas	348.54	J/mol×K	676.89	Calculated Property
Cp,gas	369.92	J/mol×K	757.67	Calculated Property
Cp,gas	388.15	J/mol×K	838.44	Calculated Property
Cp,gas	403.86	J/mol×K	919.22	Calculated Property
Cp,gas	417.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-methyl-1-nitro-.

Sources

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

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