Chemical Properties of 2-Naphthalenecarbonitrile (CAS 613-46-7)

InChI

InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H

InChI Key

AZKDTTQQTKDXLH-UHFFFAOYSA-N

Formula

C11H7N

SMILES

N#Cc1ccc2ccccc2c1

Molecular Weight¹

153.18

CAS

613-46-7

Other Names

• 2-Cyanonaphthalene
• 2-Cyanonaphthylene
• 2-Naphthalenenitrile
• 2-naphthonitrile
• 2-naphthyl cyanide
• Naphthalene-2-carbonitrile
• naphthalene, 2-cyano-
• «beta»-Cyanonaphthalene
• «beta»-Naphthonitrile

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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_sub : Sublimation pressure (kPa).
• 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
ω	0.4474		Relay (1.0) Calculated Property
ΔcH°solid	-5553.40	kJ/mol	NIST
EA	0.65 ± 0.10	eV	NIST
ΔfG°	384.35	kJ/mol	Joback Calculated Property
ΔfH°gas	304.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.42	kJ/mol	Joback Calculated Property
ΔvapH°	73.82	kJ/mol	Relay (1.0) Calculated Property
IE	[8.56; 8.64]	eV
IE	8.56	eV	NIST
IE	8.64	eV	NIST
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	2.711		Crippen Calculated Property
McVol	124.010	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[260.88; 1529.00]
Inp	1529.00		NIST
Inp	261.30		NIST
Inp	261.50		NIST
Inp	260.88		NIST
Tboil	[579.65; 579.70]	K
Tboil	579.70	K	NIST
Tboil	579.65 ± 2.00	K	NIST
Tc	861.43	K	Relay (1.0) Calculated Property
Tfus	332.15 ± 1.50	K	NIST
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	91.80	kJ/mol	306.14	Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene
Psub	[9.10e-04; 6.41e-03]	kPa	[315.50; 334.20]
Psub	9.10e-04	kPa	315.50	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	1.22e-03	kPa	318.40	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	1.52e-03	kPa	320.50	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	1.95e-03	kPa	322.40	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	2.37e-03	kPa	324.50	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	2.84e-03	kPa	326.40	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	3.50e-03	kPa	328.20	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	4.63e-03	kPa	331.30	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	5.79e-03	kPa	333.20	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
Psub	6.41e-03	kPa	334.20	Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.51; 350.96]	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			-4.11600e+01
Coefficient B			8.41500e-01
Coefficient C			-6.44480e-04
Coefficient D			1.95100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.51	J/mol×K	273.00	Calculated Property
Cp,gas	184.52	J/mol×K	353.78	Calculated Property
Cp,gas	218.83	J/mol×K	434.56	Calculated Property
Cp,gas	248.04	J/mol×K	515.33	Calculated Property
Cp,gas	272.78	J/mol×K	596.11	Calculated Property
Cp,gas	293.66	J/mol×K	676.89	Calculated Property
Cp,gas	311.30	J/mol×K	757.67	Calculated Property
Cp,gas	326.32	J/mol×K	838.44	Calculated Property
Cp,gas	339.34	J/mol×K	919.22	Calculated Property
Cp,gas	350.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthalenecarbonitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene
• Thermochemical properties of mono- and di-cyano-aromatic compounds at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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