Chemical Properties of 5-Aminoacenaphthene TFA

InChI

InChI=1S/C14H10F3NO/c15-14(16,17)13(19)18-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,18,19)

InChI Key

OYQLENJEYNMSST-UHFFFAOYSA-N

Formula

C14H10F3NO

SMILES

O=C(Nc1ccc2c3c(cccc13)CC2)C(F)(F)F

Molecular Weight¹

265.23

• 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	0.5999		Relay (1.0) Calculated Property
ΔfG°	-283.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-657.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.60	kJ/mol	Joback Calculated Property
ΔvapH°	87.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	3.439		Crippen Calculated Property
McVol	170.900	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[324.22; 325.03]
Inp	324.22		NIST
Inp	325.03		NIST
Tboil	618.08	K	Relay (1.0) Calculated Property
Tc	868.61	K	Relay (1.0) Calculated Property
Tfus	422.09	K	Relay (1.0) Calculated Property
Vc	0.636	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.63; 522.18]	J/mol×K	[686.08; 905.12]
Cp,gas	463.63	J/mol×K	686.08	Joback Calculated Property
Cp,gas	475.20	J/mol×K	722.59	Joback Calculated Property
Cp,gas	485.87	J/mol×K	759.09	Joback Calculated Property
Cp,gas	495.78	J/mol×K	795.60	Joback Calculated Property
Cp,gas	505.05	J/mol×K	832.11	Joback Calculated Property
Cp,gas	513.81	J/mol×K	868.61	Joback Calculated Property
Cp,gas	522.18	J/mol×K	905.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Aminoacenaphthene TFA.

Sources

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

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