Chemical Properties of Benzyl isobutyl ketone (CAS 5349-62-2)

InChI

InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI Key

DTYGTEGDVPAKDA-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CC(C)CC(=O)Cc1ccccc1

Molecular Weight¹

176.25

CAS

5349-62-2

Other Names

• 2-Pentanone, 4-methyl-1-phenyl-
• 4-Methyl-1-phenyl-2-pentanone
• 4-methyl-1-phenylpentan-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.83; 450.91]	J/mol×K	[554.27; 766.96]
Cp,gas	368.83	J/mol×K	554.27	Joback Calculated Property
Cp,gas	384.79	J/mol×K	589.72	Joback Calculated Property
Cp,gas	399.79	J/mol×K	625.17	Joback Calculated Property
Cp,gas	413.86	J/mol×K	660.62	Joback Calculated Property
Cp,gas	427.04	J/mol×K	696.07	Joback Calculated Property
Cp,gas	439.38	J/mol×K	731.52	Joback Calculated Property
Cp,gas	450.91	J/mol×K	766.96	Joback Calculated Property
η	[0.0002127; 0.0041343]	Pa×s	[286.35; 554.27]
η	0.0041343	Pa×s	286.35	Joback Calculated Property
η	0.0018062	Pa×s	331.00	Joback Calculated Property
η	0.0009607	Pa×s	375.66	Joback Calculated Property
η	0.0005844	Pa×s	420.31	Joback Calculated Property
η	0.0003911	Pa×s	464.96	Joback Calculated Property
η	0.0002808	Pa×s	509.62	Joback Calculated Property
η	0.0002127	Pa×s	554.27	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzyl isobutyl ketone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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