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

InChI

InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-16-19-28-23(26)21-17-14-15-18-22(21)24(27)29-20(2)25(3,4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3

InChI Key

UJJUSDNENGWUAH-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

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

Molecular Weight¹

404.58

• 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	[512.02; 1205.76]	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			-1.47800e+01
Coefficient B			2.26260e+00
Coefficient C			-1.28616e-03
Coefficient D			2.44100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.02	J/mol×K	273.00	Calculated Property
Cp,gas	635.51	J/mol×K	353.78	Calculated Property
Cp,gas	745.60	J/mol×K	434.56	Calculated Property
Cp,gas	843.06	J/mol×K	515.33	Calculated Property
Cp,gas	928.65	J/mol×K	596.11	Calculated Property
Cp,gas	1003.16	J/mol×K	676.89	Calculated Property
Cp,gas	1067.36	J/mol×K	757.67	Calculated Property
Cp,gas	1122.00	J/mol×K	838.44	Calculated Property
Cp,gas	1167.88	J/mol×K	919.22	Calculated Property
Cp,gas	1205.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005372; 0.0000276]	Pa×s	[482.53; 786.76]	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			-1.52061e+01
Coefficient B			3.70440e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			482.53
Temperature range, max.			786.76
η	0.0005372	Pa×s	482.53	Calculated Property
η	0.0003250	Pa×s	516.33	Calculated Property
η	0.0002091	Pa×s	550.14	Calculated Property
η	0.0001416	Pa×s	583.94	Calculated Property
η	0.0001001	Pa×s	617.74	Calculated Property
η	0.0000733	Pa×s	651.55	Calculated Property
η	0.0000554	Pa×s	685.35	Calculated Property
η	0.0000430	Pa×s	719.15	Calculated Property
η	0.0000341	Pa×s	752.95	Calculated Property
η	0.0000276	Pa×s	786.76	Calculated Property

Similar Compounds

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

Sources

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

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