Chemical Properties of Isophthalic acid, pentyl 1-propylbutyl ester

InChI

InChI=1S/C20H30O4/c1-4-7-8-14-23-19(21)16-12-9-13-17(15-16)20(22)24-18(10-5-2)11-6-3/h9,12-13,15,18H,4-8,10-11,14H2,1-3H3

InChI Key

KODPWPXJTGAFIV-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCOC(=O)c1cccc(C(=O)OC(CCC)CCC)c1

Molecular Weight¹

334.45

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.41; 946.34]	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			1.42380e+01
Coefficient B			1.66176e+00
Coefficient C			-8.42360e-04
Coefficient D			1.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.41	J/mol×K	273.00	Calculated Property
Cp,gas	501.69	J/mol×K	353.78	Calculated Property
Cp,gas	586.54	J/mol×K	434.56	Calculated Property
Cp,gas	662.32	J/mol×K	515.33	Calculated Property
Cp,gas	729.37	J/mol×K	596.11	Calculated Property
Cp,gas	788.07	J/mol×K	676.89	Calculated Property
Cp,gas	838.75	J/mol×K	757.67	Calculated Property
Cp,gas	881.79	J/mol×K	838.44	Calculated Property
Cp,gas	917.53	J/mol×K	919.22	Calculated Property
Cp,gas	946.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011089; 0.0000678]	Pa×s	[423.76; 701.11]	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			-1.38675e+01
Coefficient B			2.99306e+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.			423.76
Temperature range, max.			701.11
η	0.0011089	Pa×s	423.76	Calculated Property
η	0.0006870	Pa×s	454.58	Calculated Property
η	0.0004523	Pa×s	485.39	Calculated Property
η	0.0003130	Pa×s	516.21	Calculated Property
η	0.0002258	Pa×s	547.03	Calculated Property
η	0.0001686	Pa×s	577.85	Calculated Property
η	0.0001297	Pa×s	608.66	Calculated Property
η	0.0001024	Pa×s	639.48	Calculated Property
η	0.0000825	Pa×s	670.30	Calculated Property
η	0.0000678	Pa×s	701.11	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, pentyl 1-propylbutyl ester.

Sources

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

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