Chemical Properties of 2-Monobenzoylglycerol

InChI

InChI=1S/C10H12O4/c11-6-9(7-12)14-10(13)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2

InChI Key

XNUZWIXOUNSBLL-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

O=C(OC(CO)CO)c1ccccc1

Molecular Weight¹

196.20

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.39; 462.70]	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			-5.79800e+00
Coefficient B			8.94000e-01
Coefficient C			-5.20800e-04
Coefficient D			9.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.39	J/mol×K	273.00	Calculated Property
Cp,gas	249.52	J/mol×K	353.78	Calculated Property
Cp,gas	292.17	J/mol×K	434.56	Calculated Property
Cp,gas	329.64	J/mol×K	515.33	Calculated Property
Cp,gas	362.25	J/mol×K	596.11	Calculated Property
Cp,gas	390.28	J/mol×K	676.89	Calculated Property
Cp,gas	414.04	J/mol×K	757.67	Calculated Property
Cp,gas	433.83	J/mol×K	838.44	Calculated Property
Cp,gas	449.95	J/mol×K	919.22	Calculated Property
Cp,gas	462.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056487; 0.0000270]	Pa×s	[377.85; 621.26]	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			-1.88119e+01
Coefficient B			5.15218e+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.			377.85
Temperature range, max.			621.26
η	0.0056487	Pa×s	377.85	Calculated Property
η	0.0022719	Pa×s	404.90	Calculated Property
η	0.0010241	Pa×s	431.94	Calculated Property
η	0.0005071	Pa×s	458.99	Calculated Property
η	0.0002715	Pa×s	486.03	Calculated Property
η	0.0001553	Pa×s	513.08	Calculated Property
η	0.0000939	Pa×s	540.13	Calculated Property
η	0.0000596	Pa×s	567.17	Calculated Property
η	0.0000394	Pa×s	594.22	Calculated Property
η	0.0000270	Pa×s	621.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Monobenzoylglycerol.

Sources

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

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