Chemical Properties of 1,3-Diphenyl-1-butanone

InChI

InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3

InChI Key

GIVFXLVPKFXTCU-UHFFFAOYSA-N

Formula

C16H16O

SMILES

CC(CC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

224.30

Other Names

• 1-Butanone, 1,3-diphenyl-
• 3-Phenylbutyrophenone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.00; 597.29]	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			-7.37890e+01
Coefficient B			1.34392e+00
Coefficient C			-8.93500e-04
Coefficient D			2.20660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.00	J/mol×K	273.00	Calculated Property
Cp,gas	299.60	J/mol×K	353.78	Calculated Property
Cp,gas	359.60	J/mol×K	434.56	Calculated Property
Cp,gas	411.69	J/mol×K	515.33	Calculated Property
Cp,gas	456.57	J/mol×K	596.11	Calculated Property
Cp,gas	494.95	J/mol×K	676.89	Calculated Property
Cp,gas	527.51	J/mol×K	757.67	Calculated Property
Cp,gas	554.95	J/mol×K	838.44	Calculated Property
Cp,gas	577.98	J/mol×K	919.22	Calculated Property
Cp,gas	597.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031876; 0.0001704]	Pa×s	[343.15; 639.69]	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			-1.20660e+01
Coefficient B			2.16785e+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.			343.15
Temperature range, max.			639.69
η	0.0031876	Pa×s	343.15	Calculated Property
η	0.0018327	Pa×s	376.10	Calculated Property
η	0.0011520	Pa×s	409.05	Calculated Property
η	0.0007760	Pa×s	442.00	Calculated Property
η	0.0005522	Pa×s	474.95	Calculated Property
η	0.0004107	Pa×s	507.90	Calculated Property
η	0.0003166	Pa×s	540.85	Calculated Property
η	0.0002515	Pa×s	573.80	Calculated Property
η	0.0002049	Pa×s	606.74	Calculated Property
η	0.0001704	Pa×s	639.69	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diphenyl-1-butanone.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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