Chemical Properties of p-Isobutylacetophenone

InChI

InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3

InChI Key

KEAGRYYGYWZVPC-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CC(=O)c1ccc(CC(C)C)cc1

Molecular Weight¹

176.26

Other Names

• p-iso-Butylacetophenone
• 4-Isobutylacetophenone
• Ethanone, 1-[4-(2-methylpropyl)phenyl]-
• Acetophenone, 4-isobutyl-
• 4'-Isobutylacetophenone
• 1-[4-(2-methylpropyl)phenyl]ethan-1-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).
• I_np : Non-polar retention indices.
• 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.95; 506.41]	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			-2.19490e+01
Coefficient B			9.83360e-01
Coefficient C			-5.77660e-04
Coefficient D			1.22660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.95	J/mol×K	273.00	Calculated Property
Cp,gas	259.07	J/mol×K	353.78	Calculated Property
Cp,gas	306.36	J/mol×K	434.56	Calculated Property
Cp,gas	348.19	J/mol×K	515.33	Calculated Property
Cp,gas	384.95	J/mol×K	596.11	Calculated Property
Cp,gas	417.05	J/mol×K	676.89	Calculated Property
Cp,gas	444.85	J/mol×K	757.67	Calculated Property
Cp,gas	468.75	J/mol×K	838.44	Calculated Property
Cp,gas	489.14	J/mol×K	919.22	Calculated Property
Cp,gas	506.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029584; 0.0002296]	Pa×s	[298.87; 541.10]	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			-1.15330e+01
Coefficient B			1.70653e+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.			298.87
Temperature range, max.			541.10
η	0.0029584	Pa×s	298.87	Calculated Property
η	0.0018458	Pa×s	325.78	Calculated Property
η	0.0012376	Pa×s	352.70	Calculated Property
η	0.0008782	Pa×s	379.61	Calculated Property
η	0.0006521	Pa×s	406.53	Calculated Property
η	0.0005025	Pa×s	433.44	Calculated Property
η	0.0003992	Pa×s	460.36	Calculated Property
η	0.0003253	Pa×s	487.27	Calculated Property
η	0.0002708	Pa×s	514.19	Calculated Property
η	0.0002296	Pa×s	541.10	Calculated Property

Similar Compounds

Find more compounds similar to p-Isobutylacetophenone.

Sources

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

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