Chemical Properties of 2-Pyrenamine (CAS 1732-23-6)

InChI

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

InChI Key

MFUFBSLEAGDECJ-UHFFFAOYSA-N

Formula

C16H11N

SMILES

Nc1cc2ccc3cccc4ccc(c1)c2c34

Molecular Weight¹

217.27

CAS

1732-23-6

Other Names

• 2-Aminopyrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.6574		Relay (1.0) Calculated Property
ΔfH°gas	262.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	99.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.40 ± 0.10	eV	NIST
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.166		Crippen Calculated Property
McVol	168.440	ml/mol	McGowan Calculated Property
Pc	3220.98	kPa	Joback Calculated Property
Inp	[413.83; 413.83]
Inp	413.83		NIST
Inp	413.83		NIST
Tboil	720.80	K	Relay (1.0) Calculated Property
Tc	1046.85	K	Relay (1.0) Calculated Property
Tfus	464.66	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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 2-Pyrenamine.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.