Chemical Properties of 2-Butanone, 1-p-methoxyphenyl- (CAS 53917-01-4)

InChI

InChI=1S/C11H14O2/c1-3-10(12)8-9-4-6-11(13-2)7-5-9/h4-7H,3,8H2,1-2H3

InChI Key

MUUSKLMAQKVLKY-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCC(=O)Cc1ccc(OC)cc1

Molecular Weight¹

178.23

CAS

53917-01-4

Other Names

• 1-(4-Methoxyphenyl)-2-butanone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.46; 472.78]	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			6.14200e+00
Coefficient B			8.19240e-01
Coefficient C			-4.09060e-04
Coefficient D			5.64600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.46	J/mol×K	273.00	Calculated Property
Cp,gas	247.27	J/mol×K	353.78	Calculated Property
Cp,gas	289.53	J/mol×K	434.56	Calculated Property
Cp,gas	327.42	J/mol×K	515.33	Calculated Property
Cp,gas	361.10	J/mol×K	596.11	Calculated Property
Cp,gas	390.76	J/mol×K	676.89	Calculated Property
Cp,gas	416.59	J/mol×K	757.67	Calculated Property
Cp,gas	438.74	J/mol×K	838.44	Calculated Property
Cp,gas	457.42	J/mol×K	919.22	Calculated Property
Cp,gas	472.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017437; 0.0002192]	Pa×s	[324.83; 538.74]	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			-1.15749e+01
Coefficient B			1.69664e+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.			324.83
Temperature range, max.			538.74
η	0.0017437	Pa×s	324.83	Calculated Property
η	0.0012213	Pa×s	348.60	Calculated Property
η	0.0008951	Pa×s	372.37	Calculated Property
η	0.0006810	Pa×s	396.13	Calculated Property
η	0.0005344	Pa×s	419.90	Calculated Property
η	0.0004304	Pa×s	443.67	Calculated Property
η	0.0003543	Pa×s	467.44	Calculated Property
η	0.0002973	Pa×s	491.20	Calculated Property
η	0.0002535	Pa×s	514.97	Calculated Property
η	0.0002192	Pa×s	538.74	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 1-p-methoxyphenyl-.

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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