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

InChI

InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-8-6-4-2/h15,17-21H,3-14,16,22-23H2,1-2H3/b17-15+

InChI Key

VAXFBHMLDMPZTE-BMRADRMJSA-N

Formula

C27H42O4

SMILES

CCCCCCCCCC=CCOC(=O)c1ccc(C(=O)OCCCCCCC)cc1

Molecular Weight¹

430.62

• 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	[542.22; 1276.36]	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			-4.62500e+00
Coefficient B			2.34084e+00
Coefficient C			-1.30376e-03
Coefficient D			2.43900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	542.22	J/mol×K	273.00	Calculated Property
Cp,gas	671.13	J/mol×K	353.78	Calculated Property
Cp,gas	786.41	J/mol×K	434.56	Calculated Property
Cp,gas	888.83	J/mol×K	515.33	Calculated Property
Cp,gas	979.15	J/mol×K	596.11	Calculated Property
Cp,gas	1058.15	J/mol×K	676.89	Calculated Property
Cp,gas	1126.60	J/mol×K	757.67	Calculated Property
Cp,gas	1185.27	J/mol×K	838.44	Calculated Property
Cp,gas	1234.93	J/mol×K	919.22	Calculated Property
Cp,gas	1276.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003510; 0.0000239]	Pa×s	[512.57; 831.12]	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			-1.49598e+01
Coefficient B			3.59060e+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.			512.57
Temperature range, max.			831.12
η	0.0003510	Pa×s	512.57	Calculated Property
η	0.0002233	Pa×s	547.96	Calculated Property
η	0.0001500	Pa×s	583.36	Calculated Property
η	0.0001055	Pa×s	618.75	Calculated Property
η	0.0000771	Pa×s	654.15	Calculated Property
η	0.0000581	Pa×s	689.54	Calculated Property
η	0.0000451	Pa×s	724.94	Calculated Property
η	0.0000358	Pa×s	760.33	Calculated Property
η	0.0000290	Pa×s	795.73	Calculated Property
η	0.0000239	Pa×s	831.12	Calculated Property

Similar Compounds

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

Sources

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

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