Chemical Properties of Acetophenone, 4',4'''-ethylenedi- (CAS 793-06-6)

InChI

InChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3

InChI Key

ZSLCVLSXAOHWBQ-UHFFFAOYSA-N

Formula

C18H18O2

SMILES

CC(=O)c1ccc(CCc2ccc(C(C)=O)cc2)cc1

Molecular Weight¹

266.33

CAS

793-06-6

Other Names

• 4,4'-Diacetyldiphenylethane
• Ethanone, 1,1'-(1,2-ethanediyldi-4,1-phenylene)bis-

• 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	[279.77; 682.87]	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			-3.79680e+01
Coefficient B			1.38104e+00
Coefficient C			-8.46320e-04
Coefficient D			1.86120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.77	J/mol×K	273.00	Calculated Property
Cp,gas	352.93	J/mol×K	353.78	Calculated Property
Cp,gas	417.63	J/mol×K	434.56	Calculated Property
Cp,gas	474.44	J/mol×K	515.33	Calculated Property
Cp,gas	523.97	J/mol×K	596.11	Calculated Property
Cp,gas	566.80	J/mol×K	676.89	Calculated Property
Cp,gas	603.51	J/mol×K	757.67	Calculated Property
Cp,gas	634.71	J/mol×K	838.44	Calculated Property
Cp,gas	660.96	J/mol×K	919.22	Calculated Property
Cp,gas	682.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010211; 0.0001729]	Pa×s	[470.36; 711.91]	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			-1.21212e+01
Coefficient B			2.46202e+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.			470.36
Temperature range, max.			711.91
η	0.0010211	Pa×s	470.36	Calculated Property
η	0.0007698	Pa×s	497.20	Calculated Property
η	0.0005973	Pa×s	524.04	Calculated Property
η	0.0004751	Pa×s	550.88	Calculated Property
η	0.0003860	Pa×s	577.71	Calculated Property
η	0.0003195	Pa×s	604.55	Calculated Property
η	0.0002687	Pa×s	631.39	Calculated Property
η	0.0002292	Pa×s	658.23	Calculated Property
η	0.0001980	Pa×s	685.07	Calculated Property
η	0.0001729	Pa×s	711.91	Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 4',4'''-ethylenedi-.

Sources

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

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