Chemical Properties of 4-Benzyloxypropiophenone

InChI

InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChI Key

IKFGSOJYHVTNDV-UHFFFAOYSA-N

Formula

C16H16O2

SMILES

CCC(=O)c1ccc(OCc2ccccc2)cc1

Molecular Weight¹

240.30

Other Names

• 1-Propanone, 1-[4-(phenylmethoxy)phenyl]-
• 4'-Benzyloxypropiophenone
• Propiophenone, 4'-(benzyloxy)-
• p-Benzyloxypropiophenone

• 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	[249.27; 612.21]	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			-3.23080e+01
Coefficient B			1.21532e+00
Coefficient C			-7.12260e-04
Coefficient D			1.41460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.27	J/mol×K	273.00	Calculated Property
Cp,gas	314.76	J/mol×K	353.78	Calculated Property
Cp,gas	372.92	J/mol×K	434.56	Calculated Property
Cp,gas	424.19	J/mol×K	515.33	Calculated Property
Cp,gas	469.02	J/mol×K	596.11	Calculated Property
Cp,gas	507.86	J/mol×K	676.89	Calculated Property
Cp,gas	541.15	J/mol×K	757.67	Calculated Property
Cp,gas	569.34	J/mol×K	838.44	Calculated Property
Cp,gas	592.88	J/mol×K	919.22	Calculated Property
Cp,gas	612.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019169; 0.0001523]	Pa×s	[373.15; 653.91]	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			-1.21551e+01
Coefficient B			2.20086e+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.			373.15
Temperature range, max.			653.91
η	0.0019169	Pa×s	373.15	Calculated Property
η	0.0012161	Pa×s	404.35	Calculated Property
η	0.0008235	Pa×s	435.54	Calculated Property
η	0.0005875	Pa×s	466.74	Calculated Property
η	0.0004372	Pa×s	497.93	Calculated Property
η	0.0003369	Pa×s	529.13	Calculated Property
η	0.0002673	Pa×s	560.32	Calculated Property
η	0.0002173	Pa×s	591.52	Calculated Property
η	0.0001803	Pa×s	622.71	Calculated Property
η	0.0001523	Pa×s	653.91	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxypropiophenone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.