Chemical Properties of 1-Monobenzoylglycerol

InChI

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

InChI Key

SFCPXHKCMRZQAC-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

O=C(OCC(O)CO)c1ccccc1

Molecular Weight¹

196.20

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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 1-Monobenzoylglycerol.

Sources

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

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