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

InChI

InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)24-19-16-17-20-25(24)28(30)32-26(22(2)3)23(4)5/h16-17,19-20,22-23,26H,6-15,18,21H2,1-5H3

InChI Key

IOKYJDBUNKIZCM-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

446.67

• 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	[576.49; 1360.14]	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			3.60200e+00
Coefficient B			2.43360e+00
Coefficient C			-1.28396e-03
Coefficient D			2.06900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	576.49	J/mol×K	273.00	Calculated Property
Cp,gas	713.02	J/mol×K	353.78	Calculated Property
Cp,gas	835.65	J/mol×K	434.56	Calculated Property
Cp,gas	945.05	J/mol×K	515.33	Calculated Property
Cp,gas	1041.87	J/mol×K	596.11	Calculated Property
Cp,gas	1126.76	J/mol×K	676.89	Calculated Property
Cp,gas	1200.38	J/mol×K	757.67	Calculated Property
Cp,gas	1263.38	J/mol×K	838.44	Calculated Property
Cp,gas	1316.42	J/mol×K	919.22	Calculated Property
Cp,gas	1360.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005313; 0.0000180]	Pa×s	[483.92; 846.36]	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			-1.54382e+01
Coefficient B			3.82198e+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.			483.92
Temperature range, max.			846.36
η	0.0005313	Pa×s	483.92	Calculated Property
η	0.0002896	Pa×s	524.19	Calculated Property
η	0.0001721	Pa×s	564.46	Calculated Property
η	0.0001097	Pa×s	604.73	Calculated Property
η	0.0000739	Pa×s	645.00	Calculated Property
η	0.0000522	Pa×s	685.27	Calculated Property
η	0.0000383	Pa×s	725.54	Calculated Property
η	0.0000290	Pa×s	765.81	Calculated Property
η	0.0000226	Pa×s	806.09	Calculated Property
η	0.0000180	Pa×s	846.36	Calculated Property

Similar Compounds

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

Sources

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

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