Chemical Properties of Ethanone, 1-[1,1'-biphenyl]-4-yl- (CAS 92-91-1)

InChI

InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3

InChI Key

QCZZSANNLWPGEA-UHFFFAOYSA-N

Formula

C14H12O

SMILES

CC(=O)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

196.24

CAS

92-91-1

Other Names

• Acetophenone, 4'-phenyl-
• p-Phenylacetophenone
• Ketone, 4-biphenylyl methyl
• 4-Acetylbiphenyl
• 4-Biphenylyl methyl ketone
• 4-Phenylacetophenone
• 4'-Phenylacetophenone
• 4-Diphenyl methyl ketone
• p-Biphenylyl methyl ketone
• 4-Acetylbibenzyl
• p-Acetylbiphenyl
• Methyl 4-biphenylyl ketone
• 1-Acetyl-4-phenylbenzene
• 4-Phenyl-acetophenon
• 1,1'-Biphenyl-4-yl methyl ketone
• NSC 1875

• 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.5017		Relay (1.0) Calculated Property
ΔfG°	153.27	kJ/mol	Joback Calculated Property
ΔfH°gas	1.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	90.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	3.556		Crippen Calculated Property
McVol	162.170	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Tboil	[599.00; 599.20]	K
Tboil	599.20	K	NIST
Tboil	599.00 ± 1.00	K	NIST
Tc	851.12	K	Relay (1.0) Calculated Property
Tfus	393.50 ± 0.50	K	NIST
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.44; 490.53]	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			-5.59900e+01
Coefficient B			1.08852e+00
Coefficient C			-7.14460e-04
Coefficient D			1.72460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.44	J/mol×K	273.00	Calculated Property
Cp,gas	247.32	J/mol×K	353.78	Calculated Property
Cp,gas	296.27	J/mol×K	434.56	Calculated Property
Cp,gas	338.82	J/mol×K	515.33	Calculated Property
Cp,gas	375.54	J/mol×K	596.11	Calculated Property
Cp,gas	406.95	J/mol×K	676.89	Calculated Property
Cp,gas	433.61	J/mol×K	757.67	Calculated Property
Cp,gas	456.07	J/mol×K	838.44	Calculated Property
Cp,gas	474.86	J/mol×K	919.22	Calculated Property
Cp,gas	490.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011484; 0.0002026]	Pa×s	[393.50; 615.94]	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			-1.15736e+01
Coefficient B			1.89045e+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.			393.50
Temperature range, max.			615.94
η	0.0011484	Pa×s	393.50	Calculated Property
η	0.0008645	Pa×s	418.22	Calculated Property
η	0.0006718	Pa×s	442.93	Calculated Property
η	0.0005361	Pa×s	467.65	Calculated Property
η	0.0004377	Pa×s	492.36	Calculated Property
η	0.0003643	Pa×s	517.08	Calculated Property
η	0.0003083	Pa×s	541.79	Calculated Property
η	0.0002648	Pa×s	566.51	Calculated Property
η	0.0002303	Pa×s	591.23	Calculated Property
η	0.0002026	Pa×s	615.94	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-[1,1'-biphenyl]-4-yl-.

Sources

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

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