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

InChI

InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-13-6-4-2/h4,15-17,20H,2-3,5-14,18-19H2,1H3

InChI Key

ZSFHQILPYXWXJG-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

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

Molecular Weight¹

388.54

• 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	[482.77; 1123.65]	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			9.29300e+00
Coefficient B			2.01582e+00
Coefficient C			-1.07966e-03
Coefficient D			1.78200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	482.77	J/mol×K	273.00	Calculated Property
Cp,gas	595.21	J/mol×K	353.78	Calculated Property
Cp,gas	696.02	J/mol×K	434.56	Calculated Property
Cp,gas	785.78	J/mol×K	515.33	Calculated Property
Cp,gas	865.04	J/mol×K	596.11	Calculated Property
Cp,gas	934.37	J/mol×K	676.89	Calculated Property
Cp,gas	994.33	J/mol×K	757.67	Calculated Property
Cp,gas	1045.49	J/mol×K	838.44	Calculated Property
Cp,gas	1088.41	J/mol×K	919.22	Calculated Property
Cp,gas	1123.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005721; 0.0000461]	Pa×s	[482.08; 767.30]	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			-1.42426e+01
Coefficient B			3.26672e+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.			482.08
Temperature range, max.			767.30
η	0.0005721	Pa×s	482.08	Calculated Property
η	0.0003766	Pa×s	513.77	Calculated Property
η	0.0002603	Pa×s	545.46	Calculated Property
η	0.0001874	Pa×s	577.15	Calculated Property
η	0.0001395	Pa×s	608.84	Calculated Property
η	0.0001070	Pa×s	640.53	Calculated Property
η	0.0000841	Pa×s	672.23	Calculated Property
η	0.0000676	Pa×s	703.92	Calculated Property
η	0.0000554	Pa×s	735.61	Calculated Property
η	0.0000461	Pa×s	767.30	Calculated Property

Similar Compounds

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

Sources

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

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