Chemical Properties of Cinnoline, 3,4-dimethyl- (CAS 3929-83-7)

InChI

InChI=1S/C10H10N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H,1-2H3

InChI Key

FNBCNZVYOVGSRD-UHFFFAOYSA-N

Formula

C10H10N2

SMILES

Cc1nnc2ccccc2c1C

Molecular Weight¹

158.20

CAS

3929-83-7

Other Names

• 3,4-Dimethylcinnoline

• 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	0.4456		Relay (1.0) Calculated Property
ΔfG°	300.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	244.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-1.69		Relay (1.0) Calculated Property
logPoct/wat	2.247		Crippen Calculated Property
McVol	128.500	ml/mol	McGowan Calculated Property
Pc	4375.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1411.00; 1411.00]
Inp	1411.00		NIST
Inp	1411.00		NIST
Tboil	560.77	K	Relay (1.0) Calculated Property
Tc	812.83	K	Relay (1.0) Calculated Property
Tfus	332.01	K	Relay (1.0) Calculated Property
Vc	0.485	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cinnoline, 3,4-dimethyl-.

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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