Chemical Properties of Terephthalic acid, but-3-enyl undecyl ester

InChI

InChI=1S/C23H34O4/c1-3-5-7-8-9-10-11-12-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-6-4-2/h4,14-17H,2-3,5-13,18-19H2,1H3

InChI Key

YBSGXKOBIWLZQZ-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

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

Molecular Weight¹

374.52

• 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	[461.56; 1072.06]	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			1.02020e+01
Coefficient B			1.92082e+00
Coefficient C			-1.02526e-03
Coefficient D			1.66300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	461.56	J/mol×K	273.00	Calculated Property
Cp,gas	568.79	J/mol×K	353.78	Calculated Property
Cp,gas	664.94	J/mol×K	434.56	Calculated Property
Cp,gas	750.55	J/mol×K	515.33	Calculated Property
Cp,gas	826.13	J/mol×K	596.11	Calculated Property
Cp,gas	892.21	J/mol×K	676.89	Calculated Property
Cp,gas	949.32	J/mol×K	757.67	Calculated Property
Cp,gas	997.98	J/mol×K	838.44	Calculated Property
Cp,gas	1038.72	J/mol×K	919.22	Calculated Property
Cp,gas	1072.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006479; 0.0000529]	Pa×s	[470.81; 749.40]	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			-1.40804e+01
Coefficient B			3.17256e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			470.81
Temperature range, max.			749.40
η	0.0006479	Pa×s	470.81	Calculated Property
η	0.0004275	Pa×s	501.76	Calculated Property
η	0.0002961	Pa×s	532.72	Calculated Property
η	0.0002135	Pa×s	563.67	Calculated Property
η	0.0001593	Pa×s	594.63	Calculated Property
η	0.0001223	Pa×s	625.58	Calculated Property
η	0.0000963	Pa×s	656.54	Calculated Property
η	0.0000775	Pa×s	687.49	Calculated Property
η	0.0000635	Pa×s	718.44	Calculated Property
η	0.0000529	Pa×s	749.40	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-3-enyl undecyl ester.

Sources

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

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