Chemical Properties of 4,4'-Diacetyl biphenyl (CAS 787-69-9)

InChI

InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3

InChI Key

YSTSBXDVNKYPTR-UHFFFAOYSA-N

Formula

C16H14O2

SMILES

CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1

Molecular Weight¹

238.28

CAS

787-69-9

• 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	[237.34; 579.69]	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			-3.61500e+01
Coefficient B			1.19104e+00
Coefficient C			-7.37520e-04
Coefficient D			1.62320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.34	J/mol×K	273.00	Calculated Property
Cp,gas	300.09	J/mol×K	353.78	Calculated Property
Cp,gas	355.47	J/mol×K	434.56	Calculated Property
Cp,gas	403.99	J/mol×K	515.33	Calculated Property
Cp,gas	446.15	J/mol×K	596.11	Calculated Property
Cp,gas	482.48	J/mol×K	676.89	Calculated Property
Cp,gas	513.48	J/mol×K	757.67	Calculated Property
Cp,gas	539.68	J/mol×K	838.44	Calculated Property
Cp,gas	561.57	J/mol×K	919.22	Calculated Property
Cp,gas	579.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009621; 0.0001992]	Pa×s	[465.15; 686.23]	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			-1.18345e+01
Coefficient B			2.27370e+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.			465.15
Temperature range, max.			686.23
η	0.0009621	Pa×s	465.15	Calculated Property
η	0.0007529	Pa×s	489.71	Calculated Property
η	0.0006031	Pa×s	514.28	Calculated Property
η	0.0004930	Pa×s	538.84	Calculated Property
η	0.0004102	Pa×s	563.41	Calculated Property
η	0.0003465	Pa×s	587.97	Calculated Property
η	0.0002968	Pa×s	612.54	Calculated Property
η	0.0002572	Pa×s	637.10	Calculated Property
η	0.0002253	Pa×s	661.66	Calculated Property
η	0.0001992	Pa×s	686.23	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Diacetyl biphenyl.

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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