Chemical Properties of Terephthalic acid, but-2-enyl hexadecyl ester

InChI

InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)26-21-19-25(20-22-26)27(29)31-23-6-4-2/h4,6,19-22H,3,5,7-18,23-24H2,1-2H3/b6-4+

InChI Key

JEICTQRAGOXXKN-GQCTYLIASA-N

Formula

C28H44O4

SMILES

CC=CCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCCCCC)cc1

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).
• 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	[563.43; 1327.95]	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			-5.53400e+00
Coefficient B			2.43584e+00
Coefficient C			-1.35816e-03
Coefficient D			2.55800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	563.43	J/mol×K	273.00	Calculated Property
Cp,gas	697.55	J/mol×K	353.78	Calculated Property
Cp,gas	817.49	J/mol×K	434.56	Calculated Property
Cp,gas	924.06	J/mol×K	515.33	Calculated Property
Cp,gas	1018.06	J/mol×K	596.11	Calculated Property
Cp,gas	1100.31	J/mol×K	676.89	Calculated Property
Cp,gas	1171.62	J/mol×K	757.67	Calculated Property
Cp,gas	1232.78	J/mol×K	838.44	Calculated Property
Cp,gas	1284.62	J/mol×K	919.22	Calculated Property
Cp,gas	1327.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003058; 0.0000204]	Pa×s	[523.84; 851.60]	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			-1.51267e+01
Coefficient B			3.68476e+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.			523.84
Temperature range, max.			851.60
η	0.0003058	Pa×s	523.84	Calculated Property
η	0.0001936	Pa×s	560.26	Calculated Property
η	0.0001296	Pa×s	596.68	Calculated Property
η	0.0000908	Pa×s	633.09	Calculated Property
η	0.0000662	Pa×s	669.51	Calculated Property
η	0.0000498	Pa×s	705.93	Calculated Property
η	0.0000386	Pa×s	742.35	Calculated Property
η	0.0000306	Pa×s	778.77	Calculated Property
η	0.0000248	Pa×s	815.19	Calculated Property
η	0.0000204	Pa×s	851.60	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-2-enyl hexadecyl ester.

Sources

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

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