Chemical Properties of Terephthalic acid, hexadecyl 2-methylpent-3-yl ester

InChI

InChI=1S/C30H50O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)26-20-22-27(23-21-26)30(32)34-28(6-2)25(3)4/h20-23,25,28H,5-19,24H2,1-4H3

InChI Key

UDLFEPJKDMDGCE-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)C(C)C)cc1

Molecular Weight¹

474.72

• 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	[619.23; 1462.79]	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			3.46600e+00
Coefficient B			2.61768e+00
Coefficient C			-1.38956e-03
Coefficient D			2.31200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	619.23	J/mol×K	273.00	Calculated Property
Cp,gas	765.86	J/mol×K	353.78	Calculated Property
Cp,gas	897.56	J/mol×K	434.56	Calculated Property
Cp,gas	1015.06	J/mol×K	515.33	Calculated Property
Cp,gas	1119.09	J/mol×K	596.11	Calculated Property
Cp,gas	1210.38	J/mol×K	676.89	Calculated Property
Cp,gas	1289.67	J/mol×K	757.67	Calculated Property
Cp,gas	1357.67	J/mol×K	838.44	Calculated Property
Cp,gas	1415.14	J/mol×K	919.22	Calculated Property
Cp,gas	1462.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003277; 0.0000140]	Pa×s	[521.46; 890.32]	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			-1.56413e+01
Coefficient B			3.97248e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			521.46
Temperature range, max.			890.32
η	0.0003277	Pa×s	521.46	Calculated Property
η	0.0001881	Pa×s	562.44	Calculated Property
η	0.0001164	Pa×s	603.43	Calculated Property
η	0.0000766	Pa×s	644.41	Calculated Property
η	0.0000530	Pa×s	685.40	Calculated Property
η	0.0000382	Pa×s	726.38	Calculated Property
η	0.0000285	Pa×s	767.36	Calculated Property
η	0.0000219	Pa×s	808.35	Calculated Property
η	0.0000173	Pa×s	849.33	Calculated Property
η	0.0000140	Pa×s	890.32	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, hexadecyl 2-methylpent-3-yl ester.

Sources

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

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