Chemical Properties of Ethanone, 1,2-diphenyl- (CAS 451-40-1)

InChI

InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

InChI Key

OTKCEEWUXHVZQI-UHFFFAOYSA-N

Formula

C14H12O

SMILES

O=C(Cc1ccccc1)c1ccccc1

Molecular Weight¹

196.24

CAS

451-40-1

Other Names

• Acetophenone, 2-phenyl-
• Benzoin, deoxy-
• Benzyl phenyl ketone
• Deoxybenzoin
• Desoxybenzoin
• Phenyl benzyl ketone
• 1,2-Diphenylethanone
• 2-Phenylacetophenone
• 1,2-Diphenylethan-1-one

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°solid	-7153.00 ± 3.00	kJ/mol	NIST
ΔfG°	162.90	kJ/mol	Joback Calculated Property
ΔfH°gas	28.19	kJ/mol	Joback Calculated Property
ΔfH°solid	-71.09	kJ/mol	NIST
ΔfusH°	21.70	kJ/mol	Joback Calculated Property
ΔvapH°	58.06	kJ/mol	Joback Calculated Property
IE	[8.50; 8.90]	eV
IE	8.50	eV	NIST
IE	8.90	eV	NIST
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	3.112		Crippen Calculated Property
McVol	162.170	ml/mol	McGowan Calculated Property
Pc	2963.34	kPa	Joback Calculated Property
Inp	1537.10		NIST
Tboil	593.20	K	NIST
Tc	873.70	K	Joback Calculated Property
Tfus	[329.00; 330.00]	K
Tfus	329.00 ± 3.00	K	NIST
Tfus	330.00 ± 4.00	K	NIST
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.90; 467.79]	J/mol×K	[626.95; 873.70]
Cp,gas	390.90	J/mol×K	626.95	Joback Calculated Property
Cp,gas	406.71	J/mol×K	668.07	Joback Calculated Property
Cp,gas	421.20	J/mol×K	709.20	Joback Calculated Property
Cp,gas	434.48	J/mol×K	750.32	Joback Calculated Property
Cp,gas	446.61	J/mol×K	791.45	Joback Calculated Property
Cp,gas	457.69	J/mol×K	832.57	Joback Calculated Property
Cp,gas	467.79	J/mol×K	873.70	Joback Calculated Property
η	[0.0001896; 0.0021880]	Pa×s	[350.31; 626.95]
η	0.0021880	Pa×s	350.31	Joback Calculated Property
η	0.0011483	Pa×s	396.42	Joback Calculated Property
η	0.0006893	Pa×s	442.52	Joback Calculated Property
η	0.0004556	Pa×s	488.63	Joback Calculated Property
η	0.0003235	Pa×s	534.74	Joback Calculated Property
η	0.0002425	Pa×s	580.84	Joback Calculated Property
η	0.0001896	Pa×s	626.95	Joback Calculated Property
ΔvapH	68.10	kJ/mol	495.00	NIST

Similar Compounds

Find more compounds similar to Ethanone, 1,2-diphenyl-.

Sources

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

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