Chemical Properties of Glycerol dibenzoate

InChI

InChI=1S/C17H16O5/c18-11-15(22-17(20)14-9-5-2-6-10-14)12-21-16(19)13-7-3-1-4-8-13/h1-10,15,18H,11-12H2

InChI Key

ZFSFYLDWVFNLFA-UHFFFAOYSA-N

Formula

C17H16O5

SMILES

O=C(OCC(CO)OC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

300.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.9163		Relay (1.0) Calculated Property
ΔfH°gas	-669.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.17	kJ/mol	Joback Calculated Property
ΔvapH°	126.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	2.061		Crippen Calculated Property
McVol	223.620	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2442.00; 2442.00]
Inp	2442.00		NIST
Inp	2442.00		NIST
Tboil	671.44	K	Relay (1.0) Calculated Property
Tc	928.85	K	Relay (1.0) Calculated Property
Tfus	338.70	K	Relay (1.0) Calculated Property
Vc	0.805	m3/kmol	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.46; 694.75]	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			-2.59480e+01
Coefficient B			1.39130e+00
Coefficient C			-8.07800e-04
Coefficient D			1.37200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.46	J/mol×K	273.00	Calculated Property
Cp,gas	371.23	J/mol×K	353.78	Calculated Property
Cp,gas	437.36	J/mol×K	434.56	Calculated Property
Cp,gas	495.29	J/mol×K	515.33	Calculated Property
Cp,gas	545.43	J/mol×K	596.11	Calculated Property
Cp,gas	588.24	J/mol×K	676.89	Calculated Property
Cp,gas	624.14	J/mol×K	757.67	Calculated Property
Cp,gas	653.57	J/mol×K	838.44	Calculated Property
Cp,gas	676.96	J/mol×K	919.22	Calculated Property
Cp,gas	694.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007640; 0.0000192]	Pa×s	[464.67; 748.44]	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			-1.68932e+01
Coefficient B			4.51485e+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.			464.67
Temperature range, max.			748.44
η	0.0007640	Pa×s	464.67	Calculated Property
η	0.0004121	Pa×s	496.20	Calculated Property
η	0.0002393	Pa×s	527.73	Calculated Property
η	0.0001477	Pa×s	559.26	Calculated Property
η	0.0000960	Pa×s	590.79	Calculated Property
η	0.0000652	Pa×s	622.32	Calculated Property
η	0.0000459	Pa×s	653.85	Calculated Property
η	0.0000334	Pa×s	685.38	Calculated Property
η	0.0000250	Pa×s	716.91	Calculated Property
η	0.0000192	Pa×s	748.44	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol dibenzoate.

Sources

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

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