Chemical Properties of Kebuzone, methylated

InChI

InChI=1S/C22H22O3/c1-15(23)13-14-18-21(24)19(16-9-5-3-6-10-16)20(22(18)25-2)17-11-7-4-8-12-17/h3-12,18-19H,13-14H2,1-2H3

InChI Key

SYNIYGVOSYJTFL-UHFFFAOYSA-N

Formula

C22H22O3

SMILES

COC1=C(c2ccccc2)C(c2ccccc2)C(=O)C1CCC(C)=O

Molecular Weight¹

334.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.80; 913.43]	J/mol×K	[919.96; 1167.45]
Cp,gas	848.80	J/mol×K	919.96	Joback Calculated Property
Cp,gas	863.92	J/mol×K	961.21	Joback Calculated Property
Cp,gas	877.25	J/mol×K	1002.46	Joback Calculated Property
Cp,gas	888.83	J/mol×K	1043.70	Joback Calculated Property
Cp,gas	898.69	J/mol×K	1084.95	Joback Calculated Property
Cp,gas	906.88	J/mol×K	1126.20	Joback Calculated Property
Cp,gas	913.43	J/mol×K	1167.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Kebuzone, methylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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