Chemical Properties of Ethanone, 1-[4-(1-methylethyl)phenyl]-

InChI

InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3

InChI Key

PDLCCNYKIIUWHA-UHFFFAOYSA-N

Formula

C11H14O

SMILES

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

Molecular Weight¹

162.23

Other Names

• Acetophenone, 4'-isopropyl-
• p-Isopropylacetophenone
• Cuminone
• 4-Isopropylacetophenone
• 4'-Isopropylacetophenone
• (4-Isopropylphenyl)ethanone
• 1-[4-(1-methylethyl)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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.74; 454.82]	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			-2.10400e+01
Coefficient B			8.88360e-01
Coefficient C			-5.23260e-04
Coefficient D			1.10760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.74	J/mol×K	273.00	Calculated Property
Cp,gas	232.66	J/mol×K	353.78	Calculated Property
Cp,gas	275.28	J/mol×K	434.56	Calculated Property
Cp,gas	312.96	J/mol×K	515.33	Calculated Property
Cp,gas	346.04	J/mol×K	596.11	Calculated Property
Cp,gas	374.89	J/mol×K	676.89	Calculated Property
Cp,gas	399.83	J/mol×K	757.67	Calculated Property
Cp,gas	421.24	J/mol×K	838.44	Calculated Property
Cp,gas	439.45	J/mol×K	919.22	Calculated Property
Cp,gas	454.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029954; 0.0002338]	Pa×s	[287.60; 527.65]	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			-1.14170e+01
Coefficient B			1.61237e+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.			287.60
Temperature range, max.			527.65
η	0.0029954	Pa×s	287.60	Calculated Property
η	0.0018613	Pa×s	314.27	Calculated Property
η	0.0012460	Pa×s	340.94	Calculated Property
η	0.0008841	Pa×s	367.62	Calculated Property
η	0.0006571	Pa×s	394.29	Calculated Property
η	0.0005071	Pa×s	420.96	Calculated Property
η	0.0004036	Pa×s	447.63	Calculated Property
η	0.0003296	Pa×s	474.30	Calculated Property
η	0.0002751	Pa×s	500.98	Calculated Property
η	0.0002338	Pa×s	527.65	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-[4-(1-methylethyl)phenyl]-.

Sources

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

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