Chemical Properties of 2-Azaheptahelicene

InChI

InChI=1S/C29H17N/c1-2-4-19-8-22-11-25-14-27-15-28-16-29-17-30-6-5-20(29)9-23(28)12-26(27)13-24(25)10-21(22)7-18(19)3-1/h1-17H

InChI Key

ZUXGJDCRCLNDCD-UHFFFAOYSA-N

Formula

C29H17N

SMILES

c1ccc2cc3cc4cc5cc6cc7cnccc7cc6cc5cc4cc3cc2c1

Molecular Weight¹

379.45

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.7791		Relay (1.0) Calculated Property
ΔfG°	605.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	514.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	192.33	kJ/mol	Relay (1.0) Calculated Property
IE	6.79	eV	Relay (1.0) Calculated Property
log10WS	-11.22		Relay (1.0) Calculated Property
logPoct/wat	8.001		Crippen Calculated Property
McVol	288.930	ml/mol	McGowan Calculated Property
Pc	1529.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[3577.00; 3577.00]
Inp	3577.00		NIST
Inp	3577.00		NIST
Tboil	952.39	K	Relay (1.0) Calculated Property
Tc	1347.34	K	Relay (1.0) Calculated Property
Tfus	665.68	K	Relay (1.0) Calculated Property
Vc	1.099	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Azaheptahelicene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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