Chemical Properties of Diethylmalonic acid, 2-isopropylphenyl undecyl ester

InChI

InChI=1S/C27H44O4/c1-6-9-10-11-12-13-14-15-18-21-30-25(28)27(7-2,8-3)26(29)31-24-20-17-16-19-23(24)22(4)5/h16-17,19-20,22H,6-15,18,21H2,1-5H3

InChI Key

NHHVZNXFZIMRIR-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

432.64

• 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	[554.45; 1308.94]	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			-1.65980e+01
Coefficient B			2.45260e+00
Coefficient C			-1.39496e-03
Coefficient D			2.67900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	554.45	J/mol×K	273.00	Calculated Property
Cp,gas	688.35	J/mol×K	353.78	Calculated Property
Cp,gas	807.75	J/mol×K	434.56	Calculated Property
Cp,gas	913.51	J/mol×K	515.33	Calculated Property
Cp,gas	1006.48	J/mol×K	596.11	Calculated Property
Cp,gas	1087.48	J/mol×K	676.89	Calculated Property
Cp,gas	1157.39	J/mol×K	757.67	Calculated Property
Cp,gas	1217.03	J/mol×K	838.44	Calculated Property
Cp,gas	1267.27	J/mol×K	919.22	Calculated Property
Cp,gas	1308.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003977; 0.0000201]	Pa×s	[505.07; 824.27]	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			-1.55371e+01
Coefficient B			3.89272e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			505.07
Temperature range, max.			824.27
η	0.0003977	Pa×s	505.07	Calculated Property
η	0.0002398	Pa×s	540.54	Calculated Property
η	0.0001539	Pa×s	576.00	Calculated Property
η	0.0001040	Pa×s	611.47	Calculated Property
η	0.0000734	Pa×s	646.94	Calculated Property
η	0.0000537	Pa×s	682.40	Calculated Property
η	0.0000405	Pa×s	717.87	Calculated Property
η	0.0000314	Pa×s	753.34	Calculated Property
η	0.0000249	Pa×s	788.80	Calculated Property
η	0.0000201	Pa×s	824.27	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-isopropylphenyl undecyl ester.

Sources

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

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