Chemical Properties of 11-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene (CAS 4753-55-3)

InChI

InChI=1S/C10H9N/c1-2-6-10-8-4-3-7-9(5-1)11-10/h1-8,11H

InChI Key

DJDJGVOVSUVRDI-UHFFFAOYSA-N

Formula

C10H9N

SMILES

C1=CC=C2C=CC=CC(=C1)N2

Molecular Weight¹

143.19

CAS

4753-55-3

Other Names

• 1,6-Imino-(10)annulene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	-5529.24	kJ/mol	NIST
ΔfG°	327.99	kJ/mol	Joback Calculated Property
ΔfH°gas	367.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	308.00 ± 3.00	kJ/mol	NIST
ΔfusH°	20.21	kJ/mol	Joback Calculated Property
ΔvapH°	[59.00; 59.29]	kJ/mol
ΔvapH°	59.29	kJ/mol	NIST
ΔvapH°	59.00	kJ/mol	NIST
IE	[7.75; 8.01]	eV
IE	7.75	eV	NIST
IE	8.01	eV	NIST
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	2.040		Crippen Calculated Property
McVol	118.520	ml/mol	McGowan Calculated Property
Pc	4151.61	kPa	Joback Calculated Property
Tboil	526.68	K	Joback Calculated Property
Tc	779.16	K	Joback Calculated Property
Tfus	289.00	K	NIST
Vc	0.439	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.93; 320.05]	J/mol×K	[526.68; 779.16]
Cp,gas	247.93	J/mol×K	526.68	Joback Calculated Property
Cp,gas	262.58	J/mol×K	568.76	Joback Calculated Property
Cp,gas	276.09	J/mol×K	610.84	Joback Calculated Property
Cp,gas	288.52	J/mol×K	652.92	Joback Calculated Property
Cp,gas	299.95	J/mol×K	695.00	Joback Calculated Property
Cp,gas	310.43	J/mol×K	737.08	Joback Calculated Property
Cp,gas	320.05	J/mol×K	779.16	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 11-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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