Chemical Properties of Glyceryl dibenzoate

InChI

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

InChI Key

ITRIWXSLDIKBHK-UHFFFAOYSA-N

Formula

C17H16O5

SMILES

O=C(OCC(O)COC(=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_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).
• 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	0.9159		Relay (1.0) Calculated Property
ΔfG°	-442.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.17	kJ/mol	Joback Calculated Property
ΔvapH°	120.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.23		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	669.07	K	Relay (1.0) Calculated Property
Tc	921.99	K	Relay (1.0) Calculated Property
Tfus	355.75	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

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 Glyceryl dibenzoate.

Sources

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

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