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_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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.74; 450.82]	J/mol×K	[554.07; 766.69]
Cp,gas	368.74	J/mol×K	554.07	Joback Calculated Property
Cp,gas	384.70	J/mol×K	589.51	Joback Calculated Property
Cp,gas	399.69	J/mol×K	624.94	Joback Calculated Property
Cp,gas	413.76	J/mol×K	660.38	Joback Calculated Property
Cp,gas	426.95	J/mol×K	695.82	Joback Calculated Property
Cp,gas	439.29	J/mol×K	731.25	Joback Calculated Property
Cp,gas	450.82	J/mol×K	766.69	Joback Calculated Property
η	[0.0002129; 0.0041343]	Pa×s	[286.35; 554.07]
η	0.0041343	Pa×s	286.35	Joback Calculated Property
η	0.0018071	Pa×s	330.97	Joback Calculated Property
η	0.0009615	Pa×s	375.59	Joback Calculated Property
η	0.0005850	Pa×s	420.21	Joback Calculated Property
η	0.0003915	Pa×s	464.83	Joback Calculated Property
η	0.0002811	Pa×s	509.45	Joback Calculated Property
η	0.0002129	Pa×s	554.07	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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