Chemical Properties of Phthalic acid, oct-3-yl undecyl ester

InChI

InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(6-3)19-15-8-5-2/h16-17,20-21,23H,4-15,18-19,22H2,1-3H3

InChI Key

QUBXWFOJIHKQRS-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCCCC

Molecular Weight¹

432.64

• 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	[555.91; 1307.48]	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			7.87500e+00
Coefficient B			2.32676e+00
Coefficient C			-1.22316e-03
Coefficient D			1.96000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	555.91	J/mol×K	273.00	Calculated Property
Cp,gas	686.62	J/mol×K	353.78	Calculated Property
Cp,gas	804.09	J/mol×K	434.56	Calculated Property
Cp,gas	908.92	J/mol×K	515.33	Calculated Property
Cp,gas	1001.75	J/mol×K	596.11	Calculated Property
Cp,gas	1083.19	J/mol×K	676.89	Calculated Property
Cp,gas	1153.87	J/mol×K	757.67	Calculated Property
Cp,gas	1214.39	J/mol×K	838.44	Calculated Property
Cp,gas	1265.39	J/mol×K	919.22	Calculated Property
Cp,gas	1307.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004363; 0.0000252]	Pa×s	[502.65; 827.32]	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			-1.50031e+01
Coefficient B			3.65218e+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.			502.65
Temperature range, max.			827.32
η	0.0004363	Pa×s	502.65	Calculated Property
η	0.0002682	Pa×s	538.72	Calculated Property
η	0.0001753	Pa×s	574.80	Calculated Property
η	0.0001204	Pa×s	610.87	Calculated Property
η	0.0000863	Pa×s	646.95	Calculated Property
η	0.0000640	Pa×s	683.02	Calculated Property
η	0.0000490	Pa×s	719.10	Calculated Property
η	0.0000384	Pa×s	755.17	Calculated Property
η	0.0000308	Pa×s	791.25	Calculated Property
η	0.0000252	Pa×s	827.32	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, oct-3-yl undecyl ester.

Sources

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

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