Chemical Properties of 4-Quinazolone, 2-butyl

InChI

InChI=1S/C12H14N2O/c1-2-3-8-11-13-10-7-5-4-6-9(10)12(15)14-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)

InChI Key

WBFIFMJPHUALRV-UHFFFAOYSA-N

Formula

C12H14N2O

SMILES

CCCCc1nc2ccccc2c(=O)[nH]1

Molecular Weight¹

202.25

Other Names

• Quinazolin-4-one, 2-butyl

• ω : Acentric Factor.
• IE : Ionization energy (eV).
• 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	0.6242		Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
logPoct/wat	1.784		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	2900.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[1955.00; 1955.00]
Inp	1955.00		NIST
Inp	1955.00		NIST
Inp	1955.00		NIST
Tboil	627.51	K	Relay (1.0) Calculated Property
Tc	879.04	K	Relay (1.0) Calculated Property
Tfus	447.29	K	Relay (1.0) Calculated Property
Vc	0.610	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, 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, 2-butyl.

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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