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

• ω : Acentric Factor.
• 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).
• P_vap : Vapor 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
ω	0.5004		Relay (1.0) Calculated Property
ΔcH°solid	-7153.00 ± 3.00	kJ/mol	NIST
ΔfG°	162.90	kJ/mol	Joback Calculated Property
ΔfH°gas	43.42	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-71.09	kJ/mol	NIST
ΔfusH°	21.70	kJ/mol	Joback Calculated Property
ΔvapH°	79.18	kJ/mol	Relay (1.0) Calculated Property
IE	[8.50; 8.90]	eV
IE	8.50	eV	NIST
IE	8.90	eV	NIST
log10WS	-3.44		Relay (1.0) 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	848.12	K	Relay (1.0) Calculated Property
Tfus	[329.00; 330.00]	K
Tfus	329.00 ± 3.00	K	NIST
Tfus	330.00 ± 4.00	K	NIST
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.89; 493.57]	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			-7.02890e+01
Coefficient B			1.14800e+00
Coefficient C			-7.81500e-04
Coefficient D			1.97360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.89	J/mol×K	273.00	Calculated Property
Cp,gas	246.78	J/mol×K	353.78	Calculated Property
Cp,gas	297.20	J/mol×K	434.56	Calculated Property
Cp,gas	340.78	J/mol×K	515.33	Calculated Property
Cp,gas	378.15	J/mol×K	596.11	Calculated Property
Cp,gas	409.92	J/mol×K	676.89	Calculated Property
Cp,gas	436.73	J/mol×K	757.67	Calculated Property
Cp,gas	459.19	J/mol×K	838.44	Calculated Property
Cp,gas	477.93	J/mol×K	919.22	Calculated Property
Cp,gas	493.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031051; 0.0002047]	Pa×s	[329.50; 611.78]	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			-1.16676e+01
Coefficient B			1.94171e+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.			329.50
Temperature range, max.			611.78
η	0.0031051	Pa×s	329.50	Calculated Property
η	0.0018605	Pa×s	360.86	Calculated Property
η	0.0012099	Pa×s	392.23	Calculated Property
η	0.0008386	Pa×s	423.59	Calculated Property
η	0.0006114	Pa×s	454.96	Calculated Property
η	0.0004643	Pa×s	486.32	Calculated Property
η	0.0003645	Pa×s	517.69	Calculated Property
η	0.0002942	Pa×s	549.05	Calculated Property
η	0.0002430	Pa×s	580.42	Calculated Property
η	0.0002047	Pa×s	611.78	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.14; 100.69]	kPa	[396.50; 594.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.67956e+01
Coefficient B			-6.84395e+03
Coefficient C			-3.22590e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			396.50
Temperature range, max.			594.00
Pvap	0.14	kPa	396.50	Calculated Property
Pvap	0.40	kPa	418.44	Calculated Property
Pvap	1.03	kPa	440.39	Calculated Property
Pvap	2.42	kPa	462.33	Calculated Property
Pvap	5.23	kPa	484.28	Calculated Property
Pvap	10.55	kPa	506.22	Calculated Property
Pvap	19.98	kPa	528.17	Calculated Property
Pvap	35.86	kPa	550.11	Calculated Property
Pvap	61.36	kPa	572.06	Calculated Property
Pvap	100.69	kPa	594.00	Calculated Property

Similar Compounds

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

Sources

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

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