Chemical Properties of 1-(2-Chloro-4-methoxyphenyl)-2-methyl-1-propanone (CAS 116400-86-3)

InChI

InChI=1S/C11H13ClO2/c1-7(2)11(13)9-5-4-8(14-3)6-10(9)12/h4-7H,1-3H3

InChI Key

WQBXAJKTQQJVTP-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

COc1ccc(C(=O)C(C)C)c(Cl)c1

Molecular Weight¹

212.67

CAS

116400-86-3

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[216.10; 478.55]	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			3.16500e+01
Coefficient B			7.72460e-01
Coefficient C			-3.65620e-04
Coefficient D			4.00600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.10	J/mol×K	273.00	Calculated Property
Cp,gas	260.94	J/mol×K	353.78	Calculated Property
Cp,gas	301.57	J/mol×K	434.56	Calculated Property
Cp,gas	338.11	J/mol×K	515.33	Calculated Property
Cp,gas	370.69	J/mol×K	596.11	Calculated Property
Cp,gas	399.42	J/mol×K	676.89	Calculated Property
Cp,gas	424.45	J/mol×K	757.67	Calculated Property
Cp,gas	445.90	J/mol×K	838.44	Calculated Property
Cp,gas	463.89	J/mol×K	919.22	Calculated Property
Cp,gas	478.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015527; 0.0002023]	Pa×s	[352.27; 574.82]	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			-1.17322e+01
Coefficient B			1.85452e+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.			352.27
Temperature range, max.			574.82
η	0.0015527	Pa×s	352.27	Calculated Property
η	0.0010993	Pa×s	377.00	Calculated Property
η	0.0008121	Pa×s	401.73	Calculated Property
η	0.0006214	Pa×s	426.45	Calculated Property
η	0.0004896	Pa×s	451.18	Calculated Property
η	0.0003955	Pa×s	475.91	Calculated Property
η	0.0003262	Pa×s	500.64	Calculated Property
η	0.0002740	Pa×s	525.36	Calculated Property
η	0.0002338	Pa×s	550.09	Calculated Property
η	0.0002023	Pa×s	574.82	Calculated Property

Similar Compounds

Find more compounds similar to 1-(2-Chloro-4-methoxyphenyl)-2-methyl-1-propanone.

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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