Chemical Properties of Phthalic acid, pentadecyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C31H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-29(32)27-21-18-19-22-28(27)30(33)35-25-26(2)24-31(3,4)5/h18-19,21-22,26H,6-17,20,23-25H2,1-5H3

InChI Key

NXOQIOKWSWIEMS-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

488.74

• 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	[639.30; 1515.31]	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			-2.02340e+01
Coefficient B			2.83260e+00
Coefficient C			-1.61256e-03
Coefficient D			3.15500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	639.30	J/mol×K	273.00	Calculated Property
Cp,gas	794.02	J/mol×K	353.78	Calculated Property
Cp,gas	932.06	J/mol×K	434.56	Calculated Property
Cp,gas	1054.43	J/mol×K	515.33	Calculated Property
Cp,gas	1162.12	J/mol×K	596.11	Calculated Property
Cp,gas	1256.13	J/mol×K	676.89	Calculated Property
Cp,gas	1337.45	J/mol×K	757.67	Calculated Property
Cp,gas	1407.09	J/mol×K	838.44	Calculated Property
Cp,gas	1466.04	J/mol×K	919.22	Calculated Property
Cp,gas	1515.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002137; 0.0000100]	Pa×s	[550.15; 908.30]	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			-1.62111e+01
Coefficient B			4.26936e+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.			550.15
Temperature range, max.			908.30
η	0.0002137	Pa×s	550.15	Calculated Property
η	0.0001266	Pa×s	589.94	Calculated Property
η	0.0000802	Pa×s	629.74	Calculated Property
η	0.0000536	Pa×s	669.53	Calculated Property
η	0.0000375	Pa×s	709.33	Calculated Property
η	0.0000272	Pa×s	749.12	Calculated Property
η	0.0000204	Pa×s	788.92	Calculated Property
η	0.0000157	Pa×s	828.71	Calculated Property
η	0.0000124	Pa×s	868.51	Calculated Property
η	0.0000100	Pa×s	908.30	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, pentadecyl 2,4,4-trimethylpentyl ester.

Sources

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

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