Chemical Properties of 1,3-benzenedicarboxylic acid, dipentyl ester (CAS 4654-16-4)

InChI

InChI=1S/C18H26O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3

InChI Key

KHVWJDHBKQEWMR-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCCOC(=O)c1cccc(C(=O)OCCCCC)c1

Molecular Weight¹

306.40

CAS

4654-16-4

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.30; 842.62]	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			1.77380e+01
Coefficient B			1.46584e+00
Coefficient C			-7.30360e-04
Coefficient D			8.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.30	J/mol×K	273.00	Calculated Property
Cp,gas	448.87	J/mol×K	353.78	Calculated Property
Cp,gas	524.14	J/mol×K	434.56	Calculated Property
Cp,gas	591.41	J/mol×K	515.33	Calculated Property
Cp,gas	650.95	J/mol×K	596.11	Calculated Property
Cp,gas	703.04	J/mol×K	676.89	Calculated Property
Cp,gas	747.97	J/mol×K	757.67	Calculated Property
Cp,gas	786.02	J/mol×K	838.44	Calculated Property
Cp,gas	817.48	J/mol×K	919.22	Calculated Property
Cp,gas	842.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011416; 0.0000930]	Pa×s	[416.22; 668.24]	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			-1.34231e+01
Coefficient B			2.76692e+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.			416.22
Temperature range, max.			668.24
η	0.0011416	Pa×s	416.22	Calculated Property
η	0.0007508	Pa×s	444.22	Calculated Property
η	0.0005189	Pa×s	472.23	Calculated Property
η	0.0003738	Pa×s	500.23	Calculated Property
η	0.0002788	Pa×s	528.23	Calculated Property
η	0.0002142	Pa×s	556.23	Calculated Property
η	0.0001687	Pa×s	584.24	Calculated Property
η	0.0001359	Pa×s	612.24	Calculated Property
η	0.0001115	Pa×s	640.24	Calculated Property
η	0.0000930	Pa×s	668.24	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-benzenedicarboxylic acid, dipentyl ester.

Sources

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

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