Chemical Properties of 2-Methoxyphenylacetone (CAS 5211-62-1)

InChI

InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3

InChI Key

GMBFNZCPZFVKAT-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

COc1ccccc1CC(C)=O

Molecular Weight¹

164.20

CAS

5211-62-1

Other Names

• o-Methoxy phenyl acetone
• 2-Propanone, 1-(2-methoxyphenyl)-

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.24; 421.19]	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			7.05100e+00
Coefficient B			7.24240e-01
Coefficient C			-3.54660e-04
Coefficient D			4.45600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.24	J/mol×K	273.00	Calculated Property
Cp,gas	220.86	J/mol×K	353.78	Calculated Property
Cp,gas	258.46	J/mol×K	434.56	Calculated Property
Cp,gas	292.19	J/mol×K	515.33	Calculated Property
Cp,gas	322.19	J/mol×K	596.11	Calculated Property
Cp,gas	348.60	J/mol×K	676.89	Calculated Property
Cp,gas	371.57	J/mol×K	757.67	Calculated Property
Cp,gas	391.23	J/mol×K	838.44	Calculated Property
Cp,gas	407.72	J/mol×K	919.22	Calculated Property
Cp,gas	421.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017515; 0.0002234]	Pa×s	[313.56; 525.16]	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			-1.14579e+01
Coefficient B			1.60248e+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.			313.56
Temperature range, max.			525.16
η	0.0017515	Pa×s	313.56	Calculated Property
η	0.0012263	Pa×s	337.07	Calculated Property
η	0.0008994	Pa×s	360.58	Calculated Property
η	0.0006852	Pa×s	384.09	Calculated Property
η	0.0005387	Pa×s	407.60	Calculated Property
η	0.0004347	Pa×s	431.11	Calculated Property
η	0.0003587	Pa×s	454.63	Calculated Property
η	0.0003016	Pa×s	478.14	Calculated Property
η	0.0002578	Pa×s	501.65	Calculated Property
η	0.0002234	Pa×s	525.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxyphenylacetone.

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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