Chemical Properties of 6-Chrysenamine (CAS 2642-98-0)

InChI

InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2

InChI Key

KIVUHCNVDWYUNP-UHFFFAOYSA-N

Formula

C18H13N

SMILES

Nc1cc2c3ccccc3ccc2c2ccccc12

Molecular Weight¹

243.30

CAS

2642-98-0

Other Names

• 6-Amc
• 6-Aminochrysene
• Chrysenex
• Chrysonex
• chrysen-6-ylamine

• 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	0.6431		Relay (1.0) Calculated Property
ΔfG°	570.60	kJ/mol	Joback Calculated Property
ΔfH°gas	283.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
ΔvapH°	120.83	kJ/mol	Relay (1.0) Calculated Property
IE	7.00 ± 0.10	eV	NIST
log10WS	[-6.20; -6.20]
log10WS	-6.20		Aq. Solubility Prediction
log10WS	-6.20		Estimated Solubility
logPoct/wat	4.728		Crippen Calculated Property
McVol	192.320	ml/mol	McGowan Calculated Property
Pc	2865.80	kPa	Joback Calculated Property
Inp	[452.52; 463.19]
Inp	452.52		NIST
Inp	463.19		NIST
Tboil	748.20	K	Relay (1.0) Calculated Property
Tc	1074.71	K	Relay (1.0) Calculated Property
Tfus	483.65	K	Aq. Solubility Prediction
Vc	0.712	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.87; 596.64]	J/mol×K	[782.33; 1050.06]
Cp,gas	523.87	J/mol×K	782.33	Joback Calculated Property
Cp,gas	537.53	J/mol×K	826.95	Joback Calculated Property
Cp,gas	550.29	J/mol×K	871.57	Joback Calculated Property
Cp,gas	562.36	J/mol×K	916.19	Joback Calculated Property
Cp,gas	573.96	J/mol×K	960.81	Joback Calculated Property
Cp,gas	585.32	J/mol×K	1005.44	Joback Calculated Property
Cp,gas	596.64	J/mol×K	1050.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Chrysenamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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