Chemical Properties of Diethylmalonic acid, 2-isopropoxyphenyl pentyl ester

InChI

InChI=1S/C21H32O5/c1-6-9-12-15-24-19(22)21(7-2,8-3)20(23)26-18-14-11-10-13-17(18)25-16(4)5/h10-11,13-14,16H,6-9,12,15H2,1-5H3

InChI Key

IBRKJSDGTQWJAR-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

364.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[442.57; 1017.90]	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			1.43560e+01
Coefficient B			1.81940e+00
Coefficient C			-9.57560e-04
Coefficient D			1.41700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	442.57	J/mol×K	273.00	Calculated Property
Cp,gas	544.45	J/mol×K	353.78	Calculated Property
Cp,gas	635.79	J/mol×K	434.56	Calculated Property
Cp,gas	717.05	J/mol×K	515.33	Calculated Property
Cp,gas	788.67	J/mol×K	596.11	Calculated Property
Cp,gas	851.10	J/mol×K	676.89	Calculated Property
Cp,gas	904.79	J/mol×K	757.67	Calculated Property
Cp,gas	950.19	J/mol×K	838.44	Calculated Property
Cp,gas	987.74	J/mol×K	919.22	Calculated Property
Cp,gas	1017.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006139; 0.0000369]	Pa×s	[459.68; 735.01]	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			-1.49005e+01
Coefficient B			3.44985e+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.			459.68
Temperature range, max.			735.01
η	0.0006139	Pa×s	459.68	Calculated Property
η	0.0003844	Pa×s	490.27	Calculated Property
η	0.0002542	Pa×s	520.87	Calculated Property
η	0.0001761	Pa×s	551.46	Calculated Property
η	0.0001267	Pa×s	582.05	Calculated Property
η	0.0000943	Pa×s	612.64	Calculated Property
η	0.0000721	Pa×s	643.24	Calculated Property
η	0.0000565	Pa×s	673.83	Calculated Property
η	0.0000453	Pa×s	704.42	Calculated Property
η	0.0000369	Pa×s	735.01	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-isopropoxyphenyl pentyl ester.

Sources

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

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