Chemical Properties of 4-Quinazolone, 3-ethyl-2-propyl

InChI

InChI=1S/C13H16N2O/c1-3-7-12-14-11-9-6-5-8-10(11)13(16)15(12)4-2/h5-6,8-9H,3-4,7H2,1-2H3

InChI Key

ZDTQDAVAHNPNGB-UHFFFAOYSA-N

Formula

C13H16N2O

SMILES

CCCc1nc2ccccc2c(=O)n1CC

Molecular Weight¹

216.28

• 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	0.6326		Relay (1.0) Calculated Property
ΔfG°	190.31	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-72.03	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	2.369		Crippen Calculated Property
McVol	176.640	ml/mol	McGowan Calculated Property
Pc	2401.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[1869.00; 1869.00]
Inp	1869.00		NIST
Inp	1869.00		NIST
Inp	1869.00		NIST
Tboil	617.22	K	Relay (1.0) Calculated Property
Tc	855.81	K	Relay (1.0) Calculated Property
Tfus	375.39	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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