Chemical Properties of 1-Naphthalenecarbonitrile (CAS 86-53-3)

InChI

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

InChI Key

YJMNOKOLADGBKA-UHFFFAOYSA-N

Formula

C11H7N

SMILES

N#Cc1cccc2ccccc12

Molecular Weight¹

153.18

CAS

86-53-3

Other Names

• 1-Naphthalenenitrile
• 1-Naphthylnitrile
• 1-cyanonaphthalene
• 1-naphthonitrile
• 1-naphthyl cyanide
• NSC 60230
• Naphthalene-1-carbonitrile
• «alpha»-Cyanonaphthalene
• «alpha»-Naphthonitrile
• «alpha»-Naphthylnitrile

• 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).
• 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	0.4497		Relay (1.0) Calculated Property
ΔcH°solid	-5578.10	kJ/mol	NIST
EA	0.68 ± 0.10	eV	NIST
ΔfG°	384.35	kJ/mol	Joback Calculated Property
ΔfH°gas	291.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.42	kJ/mol	Joback Calculated Property
ΔvapH°	72.53	kJ/mol	Relay (1.0) Calculated Property
IE	[8.59; 8.61]	eV
IE	8.59	eV	NIST
IE	8.61	eV	NIST
log10WS	-3.66		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	[256.29; 1503.00]
Inp	1489.00		NIST
Inp	1500.00		NIST
Inp	1500.00		NIST
Inp	1503.00		NIST
Inp	1489.00		NIST
Inp	1489.00		NIST
Inp	256.29		NIST
Inp	256.75		NIST
Inp	256.29		NIST
Tboil	[572.15; 572.20]	K
Tboil	572.20	K	NIST
Tboil	572.15 ± 2.00	K	NIST
Tc	863.73	K	Relay (1.0) Calculated Property
Tfus	308.65 ± 1.50	K	NIST
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.92; 329.14]	J/mol×K	[603.80; 855.02]
Cp,gas	274.92	J/mol×K	603.80	Joback Calculated Property
Cp,gas	286.01	J/mol×K	645.67	Joback Calculated Property
Cp,gas	296.16	J/mol×K	687.54	Joback Calculated Property
Cp,gas	305.46	J/mol×K	729.41	Joback Calculated Property
Cp,gas	314.00	J/mol×K	771.28	Joback Calculated Property
Cp,gas	321.87	J/mol×K	813.15	Joback Calculated Property
Cp,gas	329.14	J/mol×K	855.02	Joback Calculated Property
ΔvapH	88.60	kJ/mol	298.13	Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene

Similar Compounds

Find more compounds similar to 1-Naphthalenecarbonitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene
• Joback Method
• McGowan Method
• NIST Webbook

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