Chemical Properties of 1-Aminopyrene (CAS 1606-67-3)

InChI

InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2

InChI Key

YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Formula

C16H11N

SMILES

Nc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

217.27

CAS

1606-67-3

Other Names

• 1-Pyrenamine
• 3-Aminopyrene
• Pyrene, amino-
• aminopyrene
• pyren-1-ylamine

• 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
ΔfG°	548.00	kJ/mol	Joback Calculated Property
ΔfH°gas	390.09	kJ/mol	Joback Calculated Property
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	70.40	kJ/mol	Joback Calculated Property
IE	6.80 ± 0.10	eV	NIST
log10WS	-0.61		Aq. Sol...
logPoct/wat	4.166		Crippen Calculated Property
McVol	168.440	ml/mol	McGowan Calculated Property
Pc	3220.98	kPa	Joback Calculated Property
Inp	[411.20; 415.39]
Inp	411.20		NIST
Inp	415.39		NIST
Tboil	728.87	K	Joback Calculated Property
Tc	990.34	K	Joback Calculated Property
Tfus	[389.82; 455.00]	K
Tfus	389.82	K	Aq. Sol...
Tfus	455.00 ± 3.00	K	NIST
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.67; 506.18]	J/mol×K	[728.87; 990.34]
Cp,gas	440.67	J/mol×K	728.87	Joback Calculated Property
Cp,gas	452.92	J/mol×K	772.45	Joback Calculated Property
Cp,gas	464.34	J/mol×K	816.03	Joback Calculated Property
Cp,gas	475.16	J/mol×K	859.60	Joback Calculated Property
Cp,gas	485.60	J/mol×K	903.18	Joback Calculated Property
Cp,gas	495.86	J/mol×K	946.76	Joback Calculated Property
Cp,gas	506.18	J/mol×K	990.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminopyrene.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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