Chemical Properties of Phthalic acid, ethyl 2-methylpent-3-yl ester

InChI

InChI=1S/C16H22O4/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h7-11,14H,5-6H2,1-4H3

InChI Key

UYVFSZGWMORNQD-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

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

Molecular Weight¹

278.35

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[322.24; 740.51]	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			1.61920e+01
Coefficient B			1.28768e+00
Coefficient C			-6.27960e-04
Coefficient D			6.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.24	J/mol×K	273.00	Calculated Property
Cp,gas	396.01	J/mol×K	353.78	Calculated Property
Cp,gas	462.48	J/mol×K	434.56	Calculated Property
Cp,gas	521.85	J/mol×K	515.33	Calculated Property
Cp,gas	574.33	J/mol×K	596.11	Calculated Property
Cp,gas	620.13	J/mol×K	676.89	Calculated Property
Cp,gas	659.44	J/mol×K	757.67	Calculated Property
Cp,gas	692.47	J/mol×K	838.44	Calculated Property
Cp,gas	719.42	J/mol×K	919.22	Calculated Property
Cp,gas	740.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022635; 0.0000958]	Pa×s	[363.68; 641.72]	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			-1.33891e+01
Coefficient B			2.65424e+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.			363.68
Temperature range, max.			641.72
η	0.0022635	Pa×s	363.68	Calculated Property
η	0.0012782	Pa×s	394.57	Calculated Property
η	0.0007843	Pa×s	425.47	Calculated Property
η	0.0005141	Pa×s	456.36	Calculated Property
η	0.0003556	Pa×s	487.25	Calculated Property
η	0.0002570	Pa×s	518.15	Calculated Property
η	0.0001926	Pa×s	549.04	Calculated Property
η	0.0001489	Pa×s	579.94	Calculated Property
η	0.0001181	Pa×s	610.83	Calculated Property
η	0.0000958	Pa×s	641.72	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, ethyl 2-methylpent-3-yl ester.

Sources

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

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