Chemical Properties of Terephthalic acid, heptadecyl hept-3-yl ester

InChI

InChI=1S/C32H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-27-35-31(33)28-23-25-29(26-24-28)32(34)36-30(6-3)22-8-5-2/h23-26,30H,4-22,27H2,1-3H3

InChI Key

PWZTVEDHBBEOKX-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OC(CC)CCCC)cc1

Molecular Weight¹

502.77

Other Names

• Terephthalic acid, heptadecyl heptyl-3 ester

• 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	[661.98; 1565.43]	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			3.33000e+00
Coefficient B			2.80176e+00
Coefficient C			-1.49516e-03
Coefficient D			2.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	661.98	J/mol×K	273.00	Calculated Property
Cp,gas	818.71	J/mol×K	353.78	Calculated Property
Cp,gas	959.47	J/mol×K	434.56	Calculated Property
Cp,gas	1085.07	J/mol×K	515.33	Calculated Property
Cp,gas	1196.31	J/mol×K	596.11	Calculated Property
Cp,gas	1294.00	J/mol×K	676.89	Calculated Property
Cp,gas	1378.95	J/mol×K	757.67	Calculated Property
Cp,gas	1451.97	J/mol×K	838.44	Calculated Property
Cp,gas	1513.86	J/mol×K	919.22	Calculated Property
Cp,gas	1565.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002092; 0.0000106]	Pa×s	[559.00; 939.43]	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			-1.58478e+01
Coefficient B			4.12298e+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.			559.00
Temperature range, max.			939.43
η	0.0002092	Pa×s	559.00	Calculated Property
η	0.0001246	Pa×s	601.27	Calculated Property
η	0.0000794	Pa×s	643.54	Calculated Property
η	0.0000535	Pa×s	685.81	Calculated Property
η	0.0000377	Pa×s	728.08	Calculated Property
η	0.0000277	Pa×s	770.35	Calculated Property
η	0.0000209	Pa×s	812.62	Calculated Property
η	0.0000163	Pa×s	854.89	Calculated Property
η	0.0000130	Pa×s	897.16	Calculated Property
η	0.0000106	Pa×s	939.43	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptadecyl hept-3-yl ester.

Sources

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

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