Chemical Properties of Methyl 4-methylpentan-2-yl phthalate

InChI

InChI=1S/C15H20O4/c1-10(2)9-11(3)19-15(17)13-8-6-5-7-12(13)14(16)18-4/h5-8,10-11H,9H2,1-4H3

InChI Key

GOVKOEBZVBFPRE-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

COC(=O)c1ccccc1C(=O)OC(C)CC(C)C

Molecular Weight¹

264.32

Other Names

• 1,2-Benzenedicarboxylic acid, 4-methylpentan-2-yl methyl ester

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.03; 688.92]	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			1.71010e+01
Coefficient B			1.19268e+00
Coefficient C			-5.73560e-04
Coefficient D			5.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.03	J/mol×K	273.00	Calculated Property
Cp,gas	369.59	J/mol×K	353.78	Calculated Property
Cp,gas	431.40	J/mol×K	434.56	Calculated Property
Cp,gas	486.62	J/mol×K	515.33	Calculated Property
Cp,gas	535.42	J/mol×K	596.11	Calculated Property
Cp,gas	577.96	J/mol×K	676.89	Calculated Property
Cp,gas	614.42	J/mol×K	757.67	Calculated Property
Cp,gas	644.95	J/mol×K	838.44	Calculated Property
Cp,gas	669.73	J/mol×K	919.22	Calculated Property
Cp,gas	688.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025356; 0.0001050]	Pa×s	[352.41; 627.45]	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			-1.32418e+01
Coefficient B			2.56008e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			352.41
Temperature range, max.			627.45
η	0.0025356	Pa×s	352.41	Calculated Property
η	0.0014201	Pa×s	382.97	Calculated Property
η	0.0008665	Pa×s	413.53	Calculated Property
η	0.0005659	Pa×s	444.09	Calculated Property
η	0.0003904	Pa×s	474.65	Calculated Property
η	0.0002818	Pa×s	505.21	Calculated Property
η	0.0002110	Pa×s	535.77	Calculated Property
η	0.0001631	Pa×s	566.33	Calculated Property
η	0.0001294	Pa×s	596.89	Calculated Property
η	0.0001050	Pa×s	627.45	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 4-methylpentan-2-yl phthalate.

Sources

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

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