Chemical Properties of Isophthalic acid, pent-4-enyl butyl ester

InChI

InChI=1S/C17H22O4/c1-3-5-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-6-4-2/h3,8-10,13H,1,4-7,11-12H2,2H3

InChI Key

LEFJXIIURQPKLJ-UHFFFAOYSA-N

Formula

C17H22O4

SMILES

C=CCCCOC(=O)c1cccc(C(=O)OCCCC)c1

Molecular Weight¹

290.35

• 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).
• 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 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	[334.28; 762.52]	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			1.56560e+01
Coefficient B			1.35082e+00
Coefficient C			-6.98860e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.28	J/mol×K	273.00	Calculated Property
Cp,gas	410.28	J/mol×K	353.78	Calculated Property
Cp,gas	478.48	J/mol×K	434.56	Calculated Property
Cp,gas	539.17	J/mol×K	515.33	Calculated Property
Cp,gas	592.66	J/mol×K	596.11	Calculated Property
Cp,gas	639.24	J/mol×K	676.89	Calculated Property
Cp,gas	679.22	J/mol×K	757.67	Calculated Property
Cp,gas	712.89	J/mol×K	838.44	Calculated Property
Cp,gas	740.55	J/mol×K	919.22	Calculated Property
Cp,gas	762.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012640; 0.0001068]	Pa×s	[403.19; 652.43]	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			-1.31409e+01
Coefficient B			2.60760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.19
Temperature range, max.			652.43
η	0.0012640	Pa×s	403.19	Calculated Property
η	0.0008341	Pa×s	430.88	Calculated Property
η	0.0005788	Pa×s	458.58	Calculated Property
η	0.0004187	Pa×s	486.27	Calculated Property
η	0.0003136	Pa×s	513.96	Calculated Property
η	0.0002420	Pa×s	541.66	Calculated Property
η	0.0001914	Pa×s	569.35	Calculated Property
η	0.0001548	Pa×s	597.04	Calculated Property
η	0.0001276	Pa×s	624.74	Calculated Property
η	0.0001068	Pa×s	652.43	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, pent-4-enyl butyl ester.

Sources

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

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