Chemical Properties of Phthalic acid, 2,4-dimethylpent-3-yl undecyl ester

InChI

InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-13-16-19-29-25(27)22-17-14-15-18-23(22)26(28)30-24(20(2)3)21(4)5/h14-15,17-18,20-21,24H,6-13,16,19H2,1-5H3

InChI Key

FIKFQEARKFOQQG-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

418.61

• 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	[534.06; 1256.96]	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			5.42000e+00
Coefficient B			2.24360e+00
Coefficient C			-1.17516e-03
Coefficient D			1.83100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.06	J/mol×K	273.00	Calculated Property
Cp,gas	660.18	J/mol×K	353.78	Calculated Property
Cp,gas	773.50	J/mol×K	434.56	Calculated Property
Cp,gas	874.59	J/mol×K	515.33	Calculated Property
Cp,gas	964.05	J/mol×K	596.11	Calculated Property
Cp,gas	1042.44	J/mol×K	676.89	Calculated Property
Cp,gas	1110.35	J/mol×K	757.67	Calculated Property
Cp,gas	1168.35	J/mol×K	838.44	Calculated Property
Cp,gas	1217.03	J/mol×K	919.22	Calculated Property
Cp,gas	1256.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007250; 0.0000249]	Pa×s	[461.38; 806.92]	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			-1.51050e+01
Coefficient B			3.63366e+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.			461.38
Temperature range, max.			806.92
η	0.0007250	Pa×s	461.38	Calculated Property
η	0.0003959	Pa×s	499.77	Calculated Property
η	0.0002357	Pa×s	538.17	Calculated Property
η	0.0001503	Pa×s	576.56	Calculated Property
η	0.0001014	Pa×s	614.95	Calculated Property
η	0.0000717	Pa×s	653.34	Calculated Property
η	0.0000526	Pa×s	691.74	Calculated Property
η	0.0000399	Pa×s	730.13	Calculated Property
η	0.0000311	Pa×s	768.52	Calculated Property
η	0.0000249	Pa×s	806.92	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dimethylpent-3-yl undecyl ester.

Sources

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

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