Chemical Properties of Terephthalic acid, but-3-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/h4,19-22H,2-3,5-18,23-24H2,1H3

InChI Key

XCVVRVDBEWZCDT-UHFFFAOYSA-N

Formula

C28H44O4

SMILES

C=CCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCCCCCCC)cc1

Molecular Weight¹

444.66

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

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 Terephthalic acid, but-3-enyl hexadecyl ester.

Sources

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

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