Chemical Properties of 2-Aminonaphthalene, TFA

InChI

InChI=1S/C12H8F3NO/c13-12(14,15)11(17)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,16,17)

InChI Key

LBQZDNKXORGQAD-UHFFFAOYSA-N

Formula

C12H8F3NO

SMILES

O=C(Nc1ccc2ccccc2c1)C(F)(F)F

Molecular Weight¹

239.19

• 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_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	0.5111		Relay (1.0) Calculated Property
ΔfG°	-361.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.03	kJ/mol	Joback Calculated Property
ΔvapH°	78.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	3.341		Crippen Calculated Property
McVol	153.580	ml/mol	McGowan Calculated Property
Pc	2925.00	kPa	Joback Calculated Property
Inp	[285.69; 286.28]
Inp	286.28		NIST
Inp	285.69		NIST
Tboil	579.52	K	Relay (1.0) Calculated Property
Tc	816.03	K	Relay (1.0) Calculated Property
Tfus	401.00	K	Relay (1.0) Calculated Property
Vc	0.540	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.18; 446.16]	J/mol×K	[623.22; 840.66]
Cp,gas	388.18	J/mol×K	623.22	Joback Calculated Property
Cp,gas	400.05	J/mol×K	659.46	Joback Calculated Property
Cp,gas	410.93	J/mol×K	695.70	Joback Calculated Property
Cp,gas	420.89	J/mol×K	731.94	Joback Calculated Property
Cp,gas	430.02	J/mol×K	768.18	Joback Calculated Property
Cp,gas	438.42	J/mol×K	804.42	Joback Calculated Property
Cp,gas	446.16	J/mol×K	840.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminonaphthalene, TFA.

Sources

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

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