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

InChI

InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-6-4-2/h4,19-21,24H,2-3,5-18,22-23H2,1H3

InChI Key

MEQRYRCELSCZKW-UHFFFAOYSA-N

Formula

C28H44O4

SMILES

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

Molecular Weight¹

444.65

• 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	[567.63; 1330.02]	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			5.65700e+00
Coefficient B			2.39582e+00
Coefficient C			-1.29726e-03
Coefficient D			2.25800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	567.63	J/mol×K	273.00	Calculated Property
Cp,gas	700.88	J/mol×K	353.78	Calculated Property
Cp,gas	820.33	J/mol×K	434.56	Calculated Property
Cp,gas	926.69	J/mol×K	515.33	Calculated Property
Cp,gas	1020.68	J/mol×K	596.11	Calculated Property
Cp,gas	1103.01	J/mol×K	676.89	Calculated Property
Cp,gas	1174.40	J/mol×K	757.67	Calculated Property
Cp,gas	1235.55	J/mol×K	838.44	Calculated Property
Cp,gas	1287.19	J/mol×K	919.22	Calculated Property
Cp,gas	1330.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003380; 0.0000251]	Pa×s	[527.16; 845.40]	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			-1.49037e+01
Coefficient B			3.64336e+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.			527.16
Temperature range, max.			845.40
η	0.0003380	Pa×s	527.16	Calculated Property
η	0.0002189	Pa×s	562.52	Calculated Property
η	0.0001492	Pa×s	597.88	Calculated Property
η	0.0001062	Pa×s	633.24	Calculated Property
η	0.0000783	Pa×s	668.60	Calculated Property
η	0.0000596	Pa×s	703.96	Calculated Property
η	0.0000465	Pa×s	739.32	Calculated Property
η	0.0000371	Pa×s	774.68	Calculated Property
η	0.0000303	Pa×s	810.04	Calculated Property
η	0.0000251	Pa×s	845.40	Calculated Property

Similar Compounds

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

Sources

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

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