Chemical Properties of Dimethylmalonic acid, di(2-isopropoxyphenyl) ester

InChI

InChI=1S/C23H28O6/c1-15(2)26-17-11-7-9-13-19(17)28-21(24)23(5,6)22(25)29-20-14-10-8-12-18(20)27-16(3)4/h7-16H,1-6H3

InChI Key

FHGYBXUZRQNWCC-UHFFFAOYSA-N

Formula

C23H28O6

SMILES

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

Molecular Weight¹

400.46

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, 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	[445.38; 1018.55]	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			1.67500e+01
Coefficient B			1.81372e+00
Coefficient C			-9.22720e-04
Coefficient D			1.10800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.38	J/mol×K	273.00	Calculated Property
Cp,gas	547.82	J/mol×K	353.78	Calculated Property
Cp,gas	639.76	J/mol×K	434.56	Calculated Property
Cp,gas	721.54	J/mol×K	515.33	Calculated Property
Cp,gas	793.51	J/mol×K	596.11	Calculated Property
Cp,gas	856.03	J/mol×K	676.89	Calculated Property
Cp,gas	909.44	J/mol×K	757.67	Calculated Property
Cp,gas	954.10	J/mol×K	838.44	Calculated Property
Cp,gas	990.35	J/mol×K	919.22	Calculated Property
Cp,gas	1018.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002340; 0.0000181]	Pa×s	[528.39; 822.27]	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			-1.55144e+01
Coefficient B			3.78024e+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.			528.39
Temperature range, max.			822.27
η	0.0002340	Pa×s	528.39	Calculated Property
η	0.0001543	Pa×s	561.04	Calculated Property
η	0.0001065	Pa×s	593.70	Calculated Property
η	0.0000764	Pa×s	626.35	Calculated Property
η	0.0000567	Pa×s	659.00	Calculated Property
η	0.0000432	Pa×s	691.66	Calculated Property
η	0.0000338	Pa×s	724.31	Calculated Property
η	0.0000270	Pa×s	756.96	Calculated Property
η	0.0000219	Pa×s	789.62	Calculated Property
η	0.0000181	Pa×s	822.27	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-isopropoxyphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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