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

• 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).
• 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
ΔfG°	153.27	kJ/mol	Joback Calculated Property
ΔfH°gas	16.72	kJ/mol	Joback Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	58.72	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen 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	879.64	K	Joback Calculated Property
Tfus	393.50 ± 0.50	K	NIST
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.09; 466.07]	J/mol×K	[631.93; 879.64]
Cp,gas	390.09	J/mol×K	631.93	Joback Calculated Property
Cp,gas	405.63	J/mol×K	673.21	Joback Calculated Property
Cp,gas	419.92	J/mol×K	714.50	Joback Calculated Property
Cp,gas	433.04	J/mol×K	755.78	Joback Calculated Property
Cp,gas	445.06	J/mol×K	797.07	Joback Calculated Property
Cp,gas	456.04	J/mol×K	838.35	Joback Calculated Property
Cp,gas	466.07	J/mol×K	879.64	Joback Calculated Property
η	[0.0001874; 0.0017236]	Pa×s	[362.83; 631.93]
η	0.0017236	Pa×s	362.83	Joback Calculated Property
η	0.0009716	Pa×s	407.68	Joback Calculated Property
η	0.0006136	Pa×s	452.53	Joback Calculated Property
η	0.0004210	Pa×s	497.38	Joback Calculated Property
η	0.0003075	Pa×s	542.23	Joback Calculated Property
η	0.0002356	Pa×s	587.08	Joback Calculated Property
η	0.0001874	Pa×s	631.93	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

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

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