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

InChI

InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-15-18-28-24(26)21-16-13-14-17-22(21)25(27)29-23(19(2)3)20(4)5/h13-14,16-17,19-20,23H,6-12,15,18H2,1-5H3

InChI Key

OEDMKLVJTYWPEO-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C(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	[512.85; 1205.37]	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			6.32900e+00
Coefficient B			2.14860e+00
Coefficient C			-1.12076e-03
Coefficient D			1.71200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.85	J/mol×K	273.00	Calculated Property
Cp,gas	633.76	J/mol×K	353.78	Calculated Property
Cp,gas	742.42	J/mol×K	434.56	Calculated Property
Cp,gas	839.37	J/mol×K	515.33	Calculated Property
Cp,gas	925.14	J/mol×K	596.11	Calculated Property
Cp,gas	1000.28	J/mol×K	676.89	Calculated Property
Cp,gas	1065.33	J/mol×K	757.67	Calculated Property
Cp,gas	1120.84	J/mol×K	838.44	Calculated Property
Cp,gas	1167.34	J/mol×K	919.22	Calculated Property
Cp,gas	1205.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008447; 0.0000290]	Pa×s	[450.11; 788.24]	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			-1.49401e+01
Coefficient B			3.53950e+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.			450.11
Temperature range, max.			788.24
η	0.0008447	Pa×s	450.11	Calculated Property
η	0.0004609	Pa×s	487.68	Calculated Property
η	0.0002743	Pa×s	525.25	Calculated Property
η	0.0001749	Pa×s	562.82	Calculated Property
η	0.0001180	Pa×s	600.39	Calculated Property
η	0.0000834	Pa×s	637.96	Calculated Property
η	0.0000613	Pa×s	675.53	Calculated Property
η	0.0000465	Pa×s	713.10	Calculated Property
η	0.0000363	Pa×s	750.67	Calculated Property
η	0.0000290	Pa×s	788.24	Calculated Property

Similar Compounds

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

Sources

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

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