Chemical Properties of Terephthalic acid, dodec-2-enyl hexyl ester

InChI

InChI=1S/C26H40O4/c1-3-5-7-9-10-11-12-13-14-16-22-30-26(28)24-19-17-23(18-20-24)25(27)29-21-15-8-6-4-2/h14,16-20H,3-13,15,21-22H2,1-2H3/b16-14+

InChI Key

RSZRBTUKKNNHTQ-JQIJEIRASA-N

Formula

C26H40O4

SMILES

CCCCCCCCC/C=C/COC(=O)c1ccc(C(=O)OCCCCCC)cc1

Molecular Weight¹

416.60

• 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	[521.01; 1224.76]	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			-3.71600e+00
Coefficient B			2.24584e+00
Coefficient C			-1.24936e-03
Coefficient D			2.32000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	521.01	J/mol×K	273.00	Calculated Property
Cp,gas	644.72	J/mol×K	353.78	Calculated Property
Cp,gas	755.34	J/mol×K	434.56	Calculated Property
Cp,gas	853.60	J/mol×K	515.33	Calculated Property
Cp,gas	940.24	J/mol×K	596.11	Calculated Property
Cp,gas	1015.99	J/mol×K	676.89	Calculated Property
Cp,gas	1081.58	J/mol×K	757.67	Calculated Property
Cp,gas	1137.75	J/mol×K	838.44	Calculated Property
Cp,gas	1185.24	J/mol×K	919.22	Calculated Property
Cp,gas	1224.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004020; 0.0000280]	Pa×s	[501.30; 811.39]	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			-1.47939e+01
Coefficient B			3.49644e+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.			501.30
Temperature range, max.			811.39
η	0.0004020	Pa×s	501.30	Calculated Property
η	0.0002567	Pa×s	535.75	Calculated Property
η	0.0001730	Pa×s	570.21	Calculated Property
η	0.0001220	Pa×s	604.66	Calculated Property
η	0.0000893	Pa×s	639.12	Calculated Property
η	0.0000675	Pa×s	673.57	Calculated Property
η	0.0000525	Pa×s	708.03	Calculated Property
η	0.0000417	Pa×s	742.48	Calculated Property
η	0.0000338	Pa×s	776.94	Calculated Property
η	0.0000280	Pa×s	811.39	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, dodec-2-enyl hexyl ester.

Sources

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

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