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

InChI

InChI=1S/C26H42O4/c1-6-7-8-9-10-11-12-13-14-17-20-29-24(27)22-18-15-16-19-23(22)25(28)30-21(2)26(3,4)5/h15-16,18-19,21H,6-14,17,20H2,1-5H3

InChI Key

BLBLEIDJLVFFHQ-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)C(C)(C)C

Molecular Weight¹

418.62

• 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	[533.23; 1257.35]	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			-1.56890e+01
Coefficient B			2.35760e+00
Coefficient C			-1.34056e-03
Coefficient D			2.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	533.23	J/mol×K	273.00	Calculated Property
Cp,gas	661.93	J/mol×K	353.78	Calculated Property
Cp,gas	776.68	J/mol×K	434.56	Calculated Property
Cp,gas	878.29	J/mol×K	515.33	Calculated Property
Cp,gas	967.56	J/mol×K	596.11	Calculated Property
Cp,gas	1045.32	J/mol×K	676.89	Calculated Property
Cp,gas	1112.37	J/mol×K	757.67	Calculated Property
Cp,gas	1169.52	J/mol×K	838.44	Calculated Property
Cp,gas	1217.58	J/mol×K	919.22	Calculated Property
Cp,gas	1257.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004627; 0.0000236]	Pa×s	[493.80; 805.18]	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			-1.53710e+01
Coefficient B			3.79856e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			493.80
Temperature range, max.			805.18
η	0.0004627	Pa×s	493.80	Calculated Property
η	0.0002796	Pa×s	528.40	Calculated Property
η	0.0001797	Pa×s	563.00	Calculated Property
η	0.0001216	Pa×s	597.59	Calculated Property
η	0.0000859	Pa×s	632.19	Calculated Property
η	0.0000629	Pa×s	666.79	Calculated Property
η	0.0000475	Pa×s	701.39	Calculated Property
η	0.0000368	Pa×s	735.99	Calculated Property
η	0.0000292	Pa×s	770.58	Calculated Property
η	0.0000236	Pa×s	805.18	Calculated Property

Similar Compounds

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

Sources

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

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