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

InChI

InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-21-26(25-27)28(30)32-23-18-6-4-2/h4,20-22,25H,2-3,5-19,23-24H2,1H3

InChI Key

MTXJADGILKFDMU-UHFFFAOYSA-N

Formula

C29H46O4

SMILES

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

Molecular Weight¹

458.67

• 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	[588.84; 1381.61]	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			4.74800e+00
Coefficient B			2.49082e+00
Coefficient C			-1.35166e-03
Coefficient D			2.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	588.84	J/mol×K	273.00	Calculated Property
Cp,gas	727.30	J/mol×K	353.78	Calculated Property
Cp,gas	851.41	J/mol×K	434.56	Calculated Property
Cp,gas	961.92	J/mol×K	515.33	Calculated Property
Cp,gas	1059.59	J/mol×K	596.11	Calculated Property
Cp,gas	1145.17	J/mol×K	676.89	Calculated Property
Cp,gas	1219.41	J/mol×K	757.67	Calculated Property
Cp,gas	1283.06	J/mol×K	838.44	Calculated Property
Cp,gas	1336.88	J/mol×K	919.22	Calculated Property
Cp,gas	1381.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002945; 0.0000212]	Pa×s	[538.43; 866.82]	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			-1.50716e+01
Coefficient B			3.73752e+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.			538.43
Temperature range, max.			866.82
η	0.0002945	Pa×s	538.43	Calculated Property
η	0.0001896	Pa×s	574.92	Calculated Property
η	0.0001286	Pa×s	611.40	Calculated Property
η	0.0000912	Pa×s	647.89	Calculated Property
η	0.0000670	Pa×s	684.38	Calculated Property
η	0.0000508	Pa×s	720.87	Calculated Property
η	0.0000396	Pa×s	757.35	Calculated Property
η	0.0000316	Pa×s	793.84	Calculated Property
η	0.0000257	Pa×s	830.33	Calculated Property
η	0.0000212	Pa×s	866.82	Calculated Property

Similar Compounds

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

Sources

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

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