Chemical Properties of Ethanone, 2,2-dimethoxy-1,2-diphenyl- (CAS 24650-42-8)

InChI

InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3

InChI Key

KWVGIHKZDCUPEU-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

COC(OC)(C(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

256.30

CAS

24650-42-8

Other Names

• 1,2-Diphenyl-2,2-dimethoxyethanone
• 2,2-Dimethoxy-1,2-diphenylethanone
• 2,2-Dimethoxy-2-phenylacetophenone
• 2,2-Dimethoxyphenylacetophenone
• 2,2-dimethoxy-1,2-diphenylethan-1-one
• 2-Phenyl-2,2-dimethoxyacetophenone
• Benzil dimethyl acetal
• Benzil dimethyl ketal
• Benzil mono(dimethyl acetal)
• Benzil mono(dimethyl ketal)
• DMPA
• Esacure KB 1
• IR 651
• IRG 651
• Irgacure 621
• Irgacure 641
• Irgacure 651
• Irgacure 651 (2,2-Dimethoxy-2-phenylacetophonone)
• Irgacure E 651
• Irgacure I 651
• KB 1
• Kayacure BDMK
• Lucirin BDK
• Photocure 51
• Photomer 51
• «alpha»,«alpha»-Dimethoxy-«alpha»-phenylacetophenone
• «alpha»,«alpha»-Dimethoxydeoxybenzoin

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.5465		Relay (1.0) Calculated Property
ΔfG°	-27.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-255.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.84	kJ/mol	Joback Calculated Property
ΔvapH°	85.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	3.015		Crippen Calculated Property
McVol	202.090	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1874.00; 1874.00]
Inp	1874.00		NIST
Inp	1874.00		NIST
Tboil	609.12	K	Relay (1.0) Calculated Property
Tc	855.33	K	Relay (1.0) Calculated Property
Tfus	[338.50; 339.15]	K
Tfus	339.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	338.50 ± 0.80	K	NIST
Vc	0.725	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.66; 635.22]	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			-4.55800e+01
Coefficient B			1.33744e+00
Coefficient C			-8.40100e-04
Coefficient D			1.83460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.66	J/mol×K	273.00	Calculated Property
Cp,gas	330.55	J/mol×K	353.78	Calculated Property
Cp,gas	392.02	J/mol×K	434.56	Calculated Property
Cp,gas	445.65	J/mol×K	515.33	Calculated Property
Cp,gas	492.02	J/mol×K	596.11	Calculated Property
Cp,gas	531.70	J/mol×K	676.89	Calculated Property
Cp,gas	565.28	J/mol×K	757.67	Calculated Property
Cp,gas	593.34	J/mol×K	838.44	Calculated Property
Cp,gas	616.46	J/mol×K	919.22	Calculated Property
Cp,gas	635.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045732; 0.0001008]	Pa×s	[338.82; 670.13]	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			-1.31046e+01
Coefficient B			2.61475e+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.			338.82
Temperature range, max.			670.13
η	0.0045732	Pa×s	338.82	Calculated Property
η	0.0021468	Pa×s	375.64	Calculated Property
η	0.0011534	Pa×s	412.45	Calculated Property
η	0.0006861	Pa×s	449.26	Calculated Property
η	0.0004415	Pa×s	486.07	Calculated Property
η	0.0003023	Pa×s	522.88	Calculated Property
η	0.0002176	Pa×s	559.69	Calculated Property
η	0.0001631	Pa×s	596.51	Calculated Property
η	0.0001264	Pa×s	633.32	Calculated Property
η	0.0001008	Pa×s	670.13	Calculated Property

Similar Compounds

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

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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