Chemical Properties of Phthalic acid, 2-methylpent-3-yl octadecyl ester

InChI

InChI=1S/C32H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h21-22,24-25,27,30H,5-20,23,26H2,1-4H3

InChI Key

ZGKJCAYADSVUJQ-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)C(C)C

Molecular Weight¹

502.77

• 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	[661.66; 1565.97]	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			1.64800e+00
Coefficient B			2.80768e+00
Coefficient C			-1.49836e-03
Coefficient D			2.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	661.66	J/mol×K	273.00	Calculated Property
Cp,gas	818.70	J/mol×K	353.78	Calculated Property
Cp,gas	959.72	J/mol×K	434.56	Calculated Property
Cp,gas	1085.52	J/mol×K	515.33	Calculated Property
Cp,gas	1196.91	J/mol×K	596.11	Calculated Property
Cp,gas	1294.70	J/mol×K	676.89	Calculated Property
Cp,gas	1379.70	J/mol×K	757.67	Calculated Property
Cp,gas	1452.70	J/mol×K	838.44	Calculated Property
Cp,gas	1514.52	J/mol×K	919.22	Calculated Property
Cp,gas	1565.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002404; 0.0000097]	Pa×s	[544.00; 937.21]	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			-1.59818e+01
Coefficient B			4.16080e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			544.00
Temperature range, max.			937.21
η	0.0002404	Pa×s	544.00	Calculated Property
η	0.0001361	Pa×s	587.69	Calculated Property
η	0.0000834	Pa×s	631.38	Calculated Property
η	0.0000544	Pa×s	675.07	Calculated Property
η	0.0000374	Pa×s	718.76	Calculated Property
η	0.0000269	Pa×s	762.45	Calculated Property
η	0.0000200	Pa×s	806.14	Calculated Property
η	0.0000153	Pa×s	849.83	Calculated Property
η	0.0000121	Pa×s	893.52	Calculated Property
η	0.0000097	Pa×s	937.21	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-methylpent-3-yl octadecyl ester.

Sources

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

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