Chemical Properties of 1,2,3-Propanetriol, tribenzoate (CAS 614-33-5)

InChI

InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2

InChI Key

HIZCTWCPHWUPFU-UHFFFAOYSA-N

Formula

C24H20O6

SMILES

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

Molecular Weight¹

404.41

CAS

614-33-5

Other Names

• 2,3-Bis(benzoyloxy)propyl benzoate
• Glycerol, tribenzoate
• Glyceryl tribenzoate
• Mollit B
• Plastic A
• Tribenzoin
• Uniplex 260

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	[391.54; 926.80]	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			-4.60980e+01
Coefficient B			1.88860e+00
Coefficient C			-1.09480e-03
Coefficient D			1.79100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.54	J/mol×K	273.00	Calculated Property
Cp,gas	492.95	J/mol×K	353.78	Calculated Property
Cp,gas	582.56	J/mol×K	434.56	Calculated Property
Cp,gas	660.93	J/mol×K	515.33	Calculated Property
Cp,gas	728.62	J/mol×K	596.11	Calculated Property
Cp,gas	786.21	J/mol×K	676.89	Calculated Property
Cp,gas	834.25	J/mol×K	757.67	Calculated Property
Cp,gas	873.32	J/mol×K	838.44	Calculated Property
Cp,gas	903.98	J/mol×K	919.22	Calculated Property
Cp,gas	926.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0183716; 0.0000233]	Pa×s	[349.15; 874.48]	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			-1.51026e+01
Coefficient B			3.87752e+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.			349.15
Temperature range, max.			874.48
η	0.0183716	Pa×s	349.15	Calculated Property
η	0.0037439	Pa×s	407.52	Calculated Property
η	0.0011366	Pa×s	465.89	Calculated Property
η	0.0004499	Pa×s	524.26	Calculated Property
η	0.0002145	Pa×s	582.63	Calculated Property
η	0.0001170	Pa×s	641.00	Calculated Property
η	0.0000706	Pa×s	699.37	Calculated Property
η	0.0000461	Pa×s	757.74	Calculated Property
η	0.0000319	Pa×s	816.11	Calculated Property
η	0.0000233	Pa×s	874.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Propanetriol, tribenzoate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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