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_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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[939.18; 966.36]	J/mol×K	[1056.99; 1309.45]
Cp,gas	939.18	J/mol×K	1056.99	Joback Calculated Property
Cp,gas	947.60	J/mol×K	1099.07	Joback Calculated Property
Cp,gas	954.36	J/mol×K	1141.14	Joback Calculated Property
Cp,gas	959.55	J/mol×K	1183.22	Joback Calculated Property
Cp,gas	963.23	J/mol×K	1225.30	Joback Calculated Property
Cp,gas	965.48	J/mol×K	1267.37	Joback Calculated Property
Cp,gas	966.36	J/mol×K	1309.45	Joback Calculated Property
η	[0.0000203; 0.0002110]	Pa×s	[640.98; 1056.99]
η	0.0002110	Pa×s	640.98	Joback Calculated Property
η	0.0001181	Pa×s	710.32	Joback Calculated Property
η	0.0000732	Pa×s	779.65	Joback Calculated Property
η	0.0000491	Pa×s	848.99	Joback Calculated Property
η	0.0000350	Pa×s	918.32	Joback Calculated Property
η	0.0000261	Pa×s	987.65	Joback Calculated Property
η	0.0000203	Pa×s	1056.99	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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