Chemical Properties of 4-Quinazolone, 3-methyl-2-pentyl

InChI

InChI=1S/C14H18N2O/c1-3-4-5-10-13-15-12-9-7-6-8-11(12)14(17)16(13)2/h6-9H,3-5,10H2,1-2H3

InChI Key

INNHMZODHHXQSL-UHFFFAOYSA-N

Formula

C14H18N2O

SMILES

CCCCCc1nc2ccccc2c(=O)n1C

Molecular Weight¹

230.31

• ω : Acentric Factor.
• 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	0.6721		Relay (1.0) Calculated Property
logPoct/wat	2.666		Crippen Calculated Property
McVol	190.730	ml/mol	McGowan Calculated Property
Pc	2267.73	kPa	Relay (1.0-beta) Calculated Property
Inp	[2050.00; 2050.00]
Inp	2050.00		NIST
Inp	2050.00		NIST
Inp	2050.00		NIST
Tboil	629.46	K	Relay (1.0) Calculated Property
Tc	869.95	K	Relay (1.0) Calculated Property
Tfus	348.74	K	Relay (1.0) Calculated Property
Vc	0.724	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l 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 4-Quinazolone, 3-methyl-2-pentyl.

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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