Chemical Properties of 1-Naphthalenamine, N-ethyl- (CAS 118-44-5)

InChI

InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3

InChI Key

KDFFXYVOTKKBDI-UHFFFAOYSA-N

Formula

C12H13N

SMILES

CCNc1cccc2ccccc12

Molecular Weight¹

171.24

CAS

118-44-5

Other Names

• 1-Naphthylamine, N-ethyl-
• Ethyl-«alpha»-naphthylamine
• N-Ethyl-«alpha»-naphthylamine
• N-Ethyl-1-naphthylamine
• 2-(Ethylamino)naphthalene
• ethyl(1-naphthyl)amine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.4997		Relay (1.0) Calculated Property
ΔfG°	348.98	kJ/mol	Joback Calculated Property
ΔfH°gas	108.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.61	kJ/mol	Joback Calculated Property
ΔvapH°	72.83	kJ/mol	Relay (1.0) Calculated Property
IE	7.08	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	3.272		Crippen Calculated Property
McVol	146.700	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[1634.60; 1634.60]
Inp	1634.60		NIST
Inp	1634.60		NIST
Tboil	569.14	K	Relay (1.0) Calculated Property
Tc	839.82	K	Relay (1.0) Calculated Property
Tfus	296.72	K	Relay (1.0) Calculated Property
Vc	0.530	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.53; 462.96]	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			-6.02790e+01
Coefficient B			1.07792e+00
Coefficient C			-7.78480e-04
Coefficient D			2.23800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.53	J/mol×K	273.00	Calculated Property
Cp,gas	233.54	J/mol×K	353.78	Calculated Property
Cp,gas	279.50	J/mol×K	434.56	Calculated Property
Cp,gas	319.10	J/mol×K	515.33	Calculated Property
Cp,gas	353.06	J/mol×K	596.11	Calculated Property
Cp,gas	382.08	J/mol×K	676.89	Calculated Property
Cp,gas	406.87	J/mol×K	757.67	Calculated Property
Cp,gas	428.15	J/mol×K	838.44	Calculated Property
Cp,gas	446.61	J/mol×K	919.22	Calculated Property
Cp,gas	462.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenamine, N-ethyl-.

Sources

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

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