Chemical Properties of Diethylmalonic acid, 2-isopropoxyphenyl nonyl ester

InChI

InChI=1S/C25H40O5/c1-6-9-10-11-12-13-16-19-28-23(26)25(7-2,8-3)24(27)30-22-18-15-14-17-21(22)29-20(4)5/h14-15,17-18,20H,6-13,16,19H2,1-5H3

InChI Key

WUYHFIUPRVFCIB-UHFFFAOYSA-N

Formula

C25H40O5

SMILES

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

Molecular Weight¹

420.58

• 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	[527.42; 1224.26]	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			1.07200e+01
Coefficient B			2.19940e+00
Coefficient C			-1.17516e-03
Coefficient D			1.89300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	527.42	J/mol×K	273.00	Calculated Property
Cp,gas	650.12	J/mol×K	353.78	Calculated Property
Cp,gas	760.10	J/mol×K	434.56	Calculated Property
Cp,gas	857.97	J/mol×K	515.33	Calculated Property
Cp,gas	944.31	J/mol×K	596.11	Calculated Property
Cp,gas	1019.75	J/mol×K	676.89	Calculated Property
Cp,gas	1084.86	J/mol×K	757.67	Calculated Property
Cp,gas	1140.25	J/mol×K	838.44	Calculated Property
Cp,gas	1186.52	J/mol×K	919.22	Calculated Property
Cp,gas	1224.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003448; 0.0000204]	Pa×s	[504.76; 804.89]	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			-1.55533e+01
Coefficient B			3.82649e+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.			504.76
Temperature range, max.			804.89
η	0.0003448	Pa×s	504.76	Calculated Property
η	0.0002155	Pa×s	538.11	Calculated Property
η	0.0001423	Pa×s	571.46	Calculated Property
η	0.0000984	Pa×s	604.80	Calculated Property
η	0.0000707	Pa×s	638.15	Calculated Property
η	0.0000525	Pa×s	671.50	Calculated Property
η	0.0000401	Pa×s	704.85	Calculated Property
η	0.0000314	Pa×s	738.19	Calculated Property
η	0.0000251	Pa×s	771.54	Calculated Property
η	0.0000204	Pa×s	804.89	Calculated Property

Similar Compounds

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

Sources

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

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