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

InChI

InChI=1S/C23H36O4/c1-6-7-8-9-10-13-16-26-22(24)19-14-11-12-15-20(19)23(25)27-21(17(2)3)18(4)5/h11-12,14-15,17-18,21H,6-10,13,16H2,1-5H3

InChI Key

ZHSIFOJHDSSTCO-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

376.53

• 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	[470.42; 1102.19]	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			8.14700e+00
Coefficient B			1.95860e+00
Coefficient C			-1.01196e-03
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.42	J/mol×K	273.00	Calculated Property
Cp,gas	580.93	J/mol×K	353.78	Calculated Property
Cp,gas	680.27	J/mol×K	434.56	Calculated Property
Cp,gas	768.91	J/mol×K	515.33	Calculated Property
Cp,gas	847.32	J/mol×K	596.11	Calculated Property
Cp,gas	915.96	J/mol×K	676.89	Calculated Property
Cp,gas	975.30	J/mol×K	757.67	Calculated Property
Cp,gas	1025.81	J/mol×K	838.44	Calculated Property
Cp,gas	1067.95	J/mol×K	919.22	Calculated Property
Cp,gas	1102.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011405; 0.0000386]	Pa×s	[427.57; 752.73]	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			-1.46140e+01
Coefficient B			3.35118e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			427.57
Temperature range, max.			752.73
η	0.0011405	Pa×s	427.57	Calculated Property
η	0.0006193	Pa×s	463.70	Calculated Property
η	0.0003673	Pa×s	499.83	Calculated Property
η	0.0002337	Pa×s	535.96	Calculated Property
η	0.0001575	Pa×s	572.09	Calculated Property
η	0.0001112	Pa×s	608.21	Calculated Property
η	0.0000817	Pa×s	644.34	Calculated Property
η	0.0000619	Pa×s	680.47	Calculated Property
η	0.0000483	Pa×s	716.60	Calculated Property
η	0.0000386	Pa×s	752.73	Calculated Property

Similar Compounds

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

Sources

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

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