Chemical Properties of Benzo[c]cinnoline (CAS 230-17-1)

InChI

InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H

InChI Key

SWJXWSAKHXBQSY-UHFFFAOYSA-N

Formula

C12H8N2

SMILES

c1ccc2c(c1)nnc1ccccc12

Molecular Weight¹

180.21

CAS

230-17-1

Other Names

• 9,10-Diazaphenanthrene
• Diphenylenazone
• Phenazone
• Phenazone (three-ring system)
• 2,2'-Azobiphenyl
• 3,4-Benzocinnoline
• 5,6-Phenanthroline
• o-Diphenyleneazine
• 5,6-Diazaphenanthrene
• NSC 86935

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-6160.50; -6144.80]	kJ/mol
ΔcH°solid	-6144.80 ± 3.80	kJ/mol	NIST
ΔcH°solid	-6160.50 ± 1.70	kJ/mol	NIST
EA	0.92 ± 0.10	eV	NIST
ΔfH°gas	[376.00; 391.70]	kJ/mol
ΔfH°gas	376.00 ± 4.90	kJ/mol	NIST
ΔfH°gas	391.70	kJ/mol	NIST
ΔfH°solid	[279.40; 295.10]	kJ/mol
ΔfH°solid	279.40 ± 4.00	kJ/mol	NIST
ΔfH°solid	295.10	kJ/mol	NIST
ΔsubH°	[96.55; 101.68]	kJ/mol
ΔsubH°	96.55 ± 0.90	kJ/mol	NIST
ΔsubH°	96.60	kJ/mol	NIST
ΔsubH°	101.68 ± 0.18	kJ/mol	NIST
IE	[7.90; 8.69]	eV
IE	7.90	eV	NIST
IE	8.69 ± 0.02	eV	NIST
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	2.783		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Inp	[322.07; 1933.00]
Inp	1933.00		NIST
Inp	322.07		NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[20.90; 20.92]	kJ/mol	[429.00; 432.20]
ΔfusH	20.90	kJ/mol	429.00	NIST
ΔfusH	20.92	kJ/mol	432.20	NIST
ΔfusH	20.92	kJ/mol	432.20	NIST
ΔsubH	101.70 ± 0.20	kJ/mol	340.00	NIST

Similar Compounds

Find more compounds similar to Benzo[c]cinnoline.

Sources

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

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