Chemical Properties of 4-Quinazolone, 2,3-diethyl

InChI

InChI=1S/C12H14N2O/c1-3-11-13-10-8-6-5-7-9(10)12(15)14(11)4-2/h5-8H,3-4H2,1-2H3

InChI Key

TZZHUPDVQBATRP-UHFFFAOYSA-N

Formula

C12H14N2O

SMILES

CCc1nc2ccccc2c(=O)n1CC

Molecular Weight¹

202.25

• 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	0.5912		Relay (1.0) Calculated Property
ΔfG°	188.88	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-56.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-2.05		Relay (1.0) Calculated Property
logPoct/wat	1.979		Crippen Calculated Property
McVol	162.550	ml/mol	McGowan Calculated Property
Pc	2661.53	kPa	Relay (1.0-beta) Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	609.15	K	Relay (1.0) Calculated Property
Tc	846.46	K	Relay (1.0) Calculated Property
Tfus	381.37	K	Relay (1.0) Calculated Property
Vc	0.614	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Quinazolone, 2,3-diethyl.

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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