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

• ω : Acentric Factor.
• 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
ω	0.3111		Relay (1.0) Calculated Property
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	-3.21		Relay (1.0) 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	509.22	K	Relay (1.0) Calculated Property
Tc	802.34	K	Relay (1.0) Calculated Property
Tfus	289.00	K	NIST
Vc	0.385	m3/kmol	Relay (1.0) 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

• 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.