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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.40; 509.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.62480e+01
Coefficient B			1.04284e+00
Coefficient C			-6.44700e-04
Coefficient D			1.47560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.40	J/mol×K	273.00	Calculated Property
Cp,gas	258.53	J/mol×K	353.78	Calculated Property
Cp,gas	307.29	J/mol×K	434.56	Calculated Property
Cp,gas	350.14	J/mol×K	515.33	Calculated Property
Cp,gas	387.56	J/mol×K	596.11	Calculated Property
Cp,gas	420.01	J/mol×K	676.89	Calculated Property
Cp,gas	447.96	J/mol×K	757.67	Calculated Property
Cp,gas	471.87	J/mol×K	838.44	Calculated Property
Cp,gas	492.21	J/mol×K	919.22	Calculated Property
Cp,gas	509.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041343; 0.0002357]	Pa×s	[286.35; 536.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16270e+01
Coefficient B			1.75779e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			286.35
Temperature range, max.			536.88
η	0.0041343	Pa×s	286.35	Calculated Property
η	0.0024000	Pa×s	314.19	Calculated Property
η	0.0015221	Pa×s	342.02	Calculated Property
η	0.0010339	Pa×s	369.86	Calculated Property
η	0.0007413	Pa×s	397.69	Calculated Property
η	0.0005552	Pa×s	425.53	Calculated Property
η	0.0004308	Pa×s	453.37	Calculated Property
η	0.0003443	Pa×s	481.20	Calculated Property
η	0.0002819	Pa×s	509.04	Calculated Property
η	0.0002357	Pa×s	536.88	Calculated Property

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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