Chemical Properties of 1-(4-Benzylphenyl)-1-butanone

InChI

InChI=1S/C17H18O/c1-2-6-17(18)16-11-9-15(10-12-16)13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3

InChI Key

CQGHAVUWNSCNMH-UHFFFAOYSA-N

Formula

C17H18O

SMILES

CCCC(=O)c1ccc(Cc2ccccc2)cc1

Molecular Weight¹

238.33

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.08; 645.30]	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			-5.87170e+01
Coefficient B			1.37352e+00
Coefficient C			-8.77660e-04
Coefficient D			2.08160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.08	J/mol×K	273.00	Calculated Property
Cp,gas	326.57	J/mol×K	353.78	Calculated Property
Cp,gas	389.50	J/mol×K	434.56	Calculated Property
Cp,gas	444.51	J/mol×K	515.33	Calculated Property
Cp,gas	492.27	J/mol×K	596.11	Calculated Property
Cp,gas	533.44	J/mol×K	676.89	Calculated Property
Cp,gas	568.66	J/mol×K	757.67	Calculated Property
Cp,gas	598.61	J/mol×K	838.44	Calculated Property
Cp,gas	623.94	J/mol×K	919.22	Calculated Property
Cp,gas	645.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015064; 0.0001750]	Pa×s	[396.64; 653.39]	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			-1.19763e+01
Coefficient B			2.17293e+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.			396.64
Temperature range, max.			653.39
η	0.0015064	Pa×s	396.64	Calculated Property
η	0.0010431	Pa×s	425.17	Calculated Property
η	0.0007564	Pa×s	453.70	Calculated Property
η	0.0005698	Pa×s	482.22	Calculated Property
η	0.0004430	Pa×s	510.75	Calculated Property
η	0.0003537	Pa×s	539.28	Calculated Property
η	0.0002889	Pa×s	567.81	Calculated Property
η	0.0002406	Pa×s	596.34	Calculated Property
η	0.0002037	Pa×s	624.86	Calculated Property
η	0.0001750	Pa×s	653.39	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Benzylphenyl)-1-butanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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