Chemical Properties of Methyl benzilate (CAS 76-89-1)

InChI

InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3

InChI Key

LJFIHTFNTGQZJL-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

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

Molecular Weight¹

242.27

CAS

76-89-1

Other Names

• Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, methyl ester
• Benzilic acid, methyl ester
• Methyl diphenylglycolate
• Methyl «alpha»-hydroxydiphenylacetate
• Methyl «alpha»-phenylmandelate
• Methyl 2-hydroxy-2,2-diphenylacetate
• Methyl hydroxydiphenylacetate
• Hydroxy-diphenyl-acetic acid methyl ester
• «alpha»-Hydroxydiphenylacetic acid, methyl ester
• NSC 57672

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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°	-67.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.65	kJ/mol	Joback Calculated Property
ΔfusH°	22.15	kJ/mol	Joback Calculated Property
ΔvapH°	78.08	kJ/mol	Joback Calculated Property
log10WS	-2.70		Crippen Calculated Property
logPoct/wat	2.095		Crippen Calculated Property
McVol	188.000	ml/mol	McGowan Calculated Property
Pc	2956.90	kPa	Joback Calculated Property
Inp	[1792.00; 1853.00]
Inp	1853.00		NIST
Inp	1792.00		NIST
Inp	1805.00		NIST
Inp	1853.00		NIST
Inp	1825.00		NIST
I	[2833.00; 2852.00]
I	2852.00		NIST
I	2833.00		NIST
Tboil	761.20	K	Joback Calculated Property
Tc	991.88	K	Joback Calculated Property
Tfus	347.50 ± 0.50	K	NIST
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.81; 582.21]	J/mol×K	[761.20; 991.88]
Cp,gas	521.81	J/mol×K	761.20	Joback Calculated Property
Cp,gas	534.28	J/mol×K	799.65	Joback Calculated Property
Cp,gas	545.67	J/mol×K	838.09	Joback Calculated Property
Cp,gas	556.08	J/mol×K	876.54	Joback Calculated Property
Cp,gas	565.59	J/mol×K	914.99	Joback Calculated Property
Cp,gas	574.27	J/mol×K	953.43	Joback Calculated Property
Cp,gas	582.21	J/mol×K	991.88	Joback Calculated Property
η	[0.0000225; 0.0010065]	Pa×s	[447.05; 761.20]
η	0.0010065	Pa×s	447.05	Joback Calculated Property
η	0.0003832	Pa×s	499.41	Joback Calculated Property
η	0.0001752	Pa×s	551.77	Joback Calculated Property
η	0.0000918	Pa×s	604.12	Joback Calculated Property
η	0.0000533	Pa×s	656.48	Joback Calculated Property
η	0.0000335	Pa×s	708.84	Joback Calculated Property
η	0.0000225	Pa×s	761.20	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[460.00; 460.20]	K	[1.70; 1.70]
Tboilr	460.20	K	1.70	NIST
Tboilr	460.00	K	1.70	NIST

Similar Compounds

Find more compounds similar to Methyl benzilate.

Sources

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

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