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

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

• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[927.50; 953.84]	J/mol×K	[1002.98; 1249.26]
Cp,gas	927.50	J/mol×K	1002.98	Joback Calculated Property
Cp,gas	936.14	J/mol×K	1044.03	Joback Calculated Property
Cp,gas	942.98	J/mol×K	1085.07	Joback Calculated Property
Cp,gas	948.10	J/mol×K	1126.12	Joback Calculated Property
Cp,gas	951.56	J/mol×K	1167.17	Joback Calculated Property
Cp,gas	953.45	J/mol×K	1208.21	Joback Calculated Property
Cp,gas	953.84	J/mol×K	1249.26	Joback Calculated Property
η	[0.0000132; 0.0003123]	Pa×s	[551.49; 1002.98]
η	0.0003123	Pa×s	551.49	Joback Calculated Property
η	0.0001343	Pa×s	626.74	Joback Calculated Property
η	0.0000692	Pa×s	701.99	Joback Calculated Property
η	0.0000405	Pa×s	777.24	Joback Calculated Property
η	0.0000261	Pa×s	852.48	Joback Calculated Property
η	0.0000180	Pa×s	927.73	Joback Calculated Property
η	0.0000132	Pa×s	1002.98	Joback Calculated Property
ΔvapH	123.50	kJ/mol	449.50	NIST

Similar Compounds

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

Sources

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

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