Chemical Properties of 10-Methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

InChI

InChI=1S/C14H16N2O/c1-10-6-2-5-9-13-15-12-8-4-3-7-11(12)14(17)16(10)13/h3-4,7-8,10H,2,5-6,9H2,1H3

InChI Key

SXCZYKXWTKWHAM-UHFFFAOYSA-N

Formula

C14H16N2O

SMILES

CC1CCCCc2nc3ccccc3c(=O)n21

Molecular Weight¹

228.29

• 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	0.5664		Relay (1.0) Calculated Property
ΔfG°	218.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-68.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.684		Crippen Calculated Property
McVol	179.870	ml/mol	McGowan Calculated Property
Pc	2620.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[2123.00; 2123.00]
Inp	2123.00		NIST
Inp	2123.00		NIST
Tboil	654.92	K	Relay (1.0) Calculated Property
Tc	924.67	K	Relay (1.0) Calculated Property
Tfus	440.51	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 10-Methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

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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