Chemical Properties of Cinnoline

InChI

InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H

InChI Key

WCZVZNOTHYJIEI-UHFFFAOYSA-N

Formula

C8H6N2

SMILES

c1ccc2nnccc2c1

Molecular Weight¹

130.15

Other Names

• Benzo[c]pyridazine
• «alpha»-Phenodiazine
• 1,2-Benzodiazine
• 1,2-Diazanaphthalene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• EA : Electron affinity (eV).
• 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).
• 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	0.3911		Relay (1.0) Calculated Property
PAff	936.30	kJ/mol	NIST
BasG	904.40	kJ/mol	NIST
EA	0.72 ± 0.10	eV	NIST
ΔfH°gas	326.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.18	kJ/mol	Relay (1.0) Calculated Property
IE	[8.51; 8.95]	eV
IE	8.51	eV	NIST
IE	8.95 ± 0.01	eV	NIST
IE	8.90	eV	NIST
IE	8.80	eV	NIST
log10WS	-1.12		Relay (1.0) Calculated Property
logPoct/wat	1.630		Crippen Calculated Property
McVol	100.320	ml/mol	McGowan Calculated Property
Pc	5596.92	kPa	Relay (1.0-beta) Calculated Property
Tboil	545.23	K	Relay (1.0) Calculated Property
Tc	798.56	K	Relay (1.0) Calculated Property
Tfus	306.64	K	Relay (1.0) Calculated Property
Vc	0.385	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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cinnoline.

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

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.