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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4456		Relay (1.0) Calculated Property
ΔfH°gas	244.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.28	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	4341.19	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	815.78	K	Relay (1.0) Calculated Property
Tfus	321.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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.
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