Chemical Properties of 4-Benzyloxy-3-methoxyacetophenone

InChI

InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

InChI Key

HRUAWSQBQLYDKH-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COc1cc(C(C)=O)ccc1OCc1ccccc1

Molecular Weight¹

256.30

Other Names

• 4'-Benzyloxy-3'-methoxyacetophenone
• Acetophenone, 4'-(benzyloxy)-3'-methoxy-
• Ethanone, 1-(3-methoxy-4-(phenylmethoxy)phenyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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 formation 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	[267.22; 627.67]	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			7.49100e+00
Coefficient B			1.09264e+00
Coefficient C			-5.34220e-04
Coefficient D			6.17600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.22	J/mol×K	273.00	Calculated Property
Cp,gas	329.92	J/mol×K	353.78	Calculated Property
Cp,gas	386.49	J/mol×K	434.56	Calculated Property
Cp,gas	437.15	J/mol×K	515.33	Calculated Property
Cp,gas	482.07	J/mol×K	596.11	Calculated Property
Cp,gas	521.47	J/mol×K	676.89	Calculated Property
Cp,gas	555.54	J/mol×K	757.67	Calculated Property
Cp,gas	584.46	J/mol×K	838.44	Calculated Property
Cp,gas	608.44	J/mol×K	919.22	Calculated Property
Cp,gas	627.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007122; 0.0001235]	Pa×s	[442.35; 671.39]	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			-1.23826e+01
Coefficient B			2.27169e+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.			442.35
Temperature range, max.			671.39
η	0.0007122	Pa×s	442.35	Calculated Property
η	0.0005386	Pa×s	467.80	Calculated Property
η	0.0004192	Pa×s	493.25	Calculated Property
η	0.0003345	Pa×s	518.70	Calculated Property
η	0.0002725	Pa×s	544.14	Calculated Property
η	0.0002261	Pa×s	569.59	Calculated Property
η	0.0001907	Pa×s	595.04	Calculated Property
η	0.0001630	Pa×s	620.49	Calculated Property
η	0.0001411	Pa×s	645.94	Calculated Property
η	0.0001235	Pa×s	671.39	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxy-3-methoxyacetophenone.

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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