Chemical Properties of kebuzone

InChI

InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3

InChI Key

LGYTZKPVOAIUKX-UHFFFAOYSA-N

Formula

C19H18N2O3

SMILES

CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Molecular Weight¹

322.36

• 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).
• 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	0.7130		Relay (... Calculated Property
ΔfG°	81.16	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-183.84	kJ/mol	Relay (... Calculated Property
ΔvapH°	108.24	kJ/mol	Relay (... Calculated Property
IE	7.77	eV	Relay (... Calculated Property
log10WS	[-3.27; -3.27]
log10WS	-3.27		Aq. Sol...
log10WS	-3.27		Estimat...
logPoct/wat	2.967		Crippen Calculated Property
McVol	244.860	ml/mol	McGowan Calculated Property
Pc	1983.16	kPa	Relay (... Calculated Property ⚠️
Tboil	683.64	K	Relay (... Calculated Property
Tc	1003.97	K	Relay (... Calculated Property
Tfus	439.02	K	Relay (... Calculated Property
Vc	0.863	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to kebuzone.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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