Chemical Properties of Benzoin methyl ether (CAS 3524-62-7)

InChI

InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3

InChI Key

BQZJOQXSCSZQPS-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

COC(C(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

226.27

CAS

3524-62-7

Other Names

• 2-Methoxy-1,2-diphenyl-1-ethanone
• 2-Methoxy-1,2-diphenylethanone
• 2-Methoxy-2-phenylacetophenone
• Acetophenone, 2-methoxy-2-phenyl-
• Benzoin methyl ester
• Ethanone, 2-methoxy-1,2-diphenyl-
• Methyl benzoin
• NSC 76550
• Nisso Cure MBO
• O-Methylbenzoin
• QCU 3
• «alpha»-Methoxybenzyl phenyl ketone
• «alpha»-Methoxydeoxybenzoin

• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.19; 564.20]	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			-4.73800e+01
Coefficient B			1.18572e+00
Coefficient C			-7.28100e-04
Coefficient D			1.53960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.19	J/mol×K	273.00	Calculated Property
Cp,gas	287.79	J/mol×K	353.78	Calculated Property
Cp,gas	343.02	J/mol×K	434.56	Calculated Property
Cp,gas	391.37	J/mol×K	515.33	Calculated Property
Cp,gas	433.32	J/mol×K	596.11	Calculated Property
Cp,gas	469.37	J/mol×K	676.89	Calculated Property
Cp,gas	499.99	J/mol×K	757.67	Calculated Property
Cp,gas	525.68	J/mol×K	838.44	Calculated Property
Cp,gas	546.92	J/mol×K	919.22	Calculated Property
Cp,gas	564.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018537; 0.0001485]	Pa×s	[368.81; 640.30]	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			-1.22442e+01
Coefficient B			2.19578e+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.			368.81
Temperature range, max.			640.30
η	0.0018537	Pa×s	368.81	Calculated Property
η	0.0011818	Pa×s	398.98	Calculated Property
η	0.0008027	Pa×s	429.14	Calculated Property
η	0.0005736	Pa×s	459.31	Calculated Property
η	0.0004272	Pa×s	489.47	Calculated Property
η	0.0003293	Pa×s	519.64	Calculated Property
η	0.0002611	Pa×s	549.80	Calculated Property
η	0.0002121	Pa×s	579.97	Calculated Property
η	0.0001759	Pa×s	610.13	Calculated Property
η	0.0001485	Pa×s	640.30	Calculated Property

Similar Compounds

Find more compounds similar to Benzoin methyl ether.

Sources

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

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