Chemical Properties of Acetophenone, 4'-methoxy-3'-methyl-

InChI

InChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3

InChI Key

SRPCRBVBOIYYHS-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

COc1ccc(C(C)=O)cc1C

Molecular Weight¹

164.20

Other Names

• 4-Methoxy-3-methylacetophenone

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.79; 418.15]	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			2.13500e+01
Coefficient B			6.64760e-01
Coefficient C			-2.87620e-04
Coefficient D			1.96600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.79	J/mol×K	273.00	Calculated Property
Cp,gas	221.40	J/mol×K	353.78	Calculated Property
Cp,gas	257.52	J/mol×K	434.56	Calculated Property
Cp,gas	290.23	J/mol×K	515.33	Calculated Property
Cp,gas	319.58	J/mol×K	596.11	Calculated Property
Cp,gas	345.63	J/mol×K	676.89	Calculated Property
Cp,gas	368.46	J/mol×K	757.67	Calculated Property
Cp,gas	388.11	J/mol×K	838.44	Calculated Property
Cp,gas	404.65	J/mol×K	919.22	Calculated Property
Cp,gas	418.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013513; 0.0002174]	Pa×s	[326.08; 529.42]	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			-1.13639e+01
Coefficient B			1.55122e+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.			326.08
Temperature range, max.			529.42
η	0.0013513	Pa×s	326.08	Calculated Property
η	0.0009928	Pa×s	348.67	Calculated Property
η	0.0007573	Pa×s	371.27	Calculated Property
η	0.0005959	Pa×s	393.86	Calculated Property
η	0.0004813	Pa×s	416.45	Calculated Property
η	0.0003973	Pa×s	439.05	Calculated Property
η	0.0003342	Pa×s	461.64	Calculated Property
η	0.0002857	Pa×s	484.23	Calculated Property
η	0.0002477	Pa×s	506.83	Calculated Property
η	0.0002174	Pa×s	529.42	Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 4'-methoxy-3'-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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