Chemical Properties of 1,3-Propanediol dibenzoate (CAS 2451-86-7)

InChI

InChI=1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

InChI Key

SSEOOCRUUJYCKA-UHFFFAOYSA-N

Formula

C17H16O4

SMILES

O=C(OCCCOC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

284.31

CAS

2451-86-7

Other Names

• Trimethyleneglycol, dibenzoate
• Benzoflex S-432
• TMETB

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.11; 679.59]	J/mol×K	[794.30; 1025.52]
Cp,gas	614.11	J/mol×K	794.30	Joback Calculated Property
Cp,gas	628.00	J/mol×K	832.84	Joback Calculated Property
Cp,gas	640.64	J/mol×K	871.37	Joback Calculated Property
Cp,gas	652.08	J/mol×K	909.91	Joback Calculated Property
Cp,gas	662.36	J/mol×K	948.45	Joback Calculated Property
Cp,gas	671.52	J/mol×K	986.98	Joback Calculated Property
Cp,gas	679.59	J/mol×K	1025.52	Joback Calculated Property
η	[0.0000828; 0.0007896]	Pa×s	[478.51; 794.30]
η	0.0007896	Pa×s	478.51	Joback Calculated Property
η	0.0004501	Pa×s	531.14	Joback Calculated Property
η	0.0002839	Pa×s	583.77	Joback Calculated Property
η	0.0001933	Pa×s	636.40	Joback Calculated Property
η	0.0001395	Pa×s	689.04	Joback Calculated Property
η	0.0001055	Pa×s	741.67	Joback Calculated Property
η	0.0000828	Pa×s	794.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol dibenzoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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