Chemical Properties of Diethylmalonic acid, 2-ethylphenyl 2-methylhex-3-yl ester

InChI

InChI=1S/C22H34O4/c1-7-13-18(16(5)6)25-20(23)22(9-3,10-4)21(24)26-19-15-12-11-14-17(19)8-2/h11-12,14-16,18H,7-10,13H2,1-6H3

InChI Key

NWGGYTAJJQEEQT-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC)C(C)C

Molecular Weight¹

362.51

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[448.06; 1051.52]	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			-1.37350e+01
Coefficient B			1.98352e+00
Coefficient C			-1.12616e-03
Coefficient D			2.07900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	448.06	J/mol×K	273.00	Calculated Property
Cp,gas	556.25	J/mol×K	353.78	Calculated Property
Cp,gas	652.61	J/mol×K	434.56	Calculated Property
Cp,gas	737.82	J/mol×K	515.33	Calculated Property
Cp,gas	812.52	J/mol×K	596.11	Calculated Property
Cp,gas	877.38	J/mol×K	676.89	Calculated Property
Cp,gas	933.06	J/mol×K	757.67	Calculated Property
Cp,gas	980.20	J/mol×K	838.44	Calculated Property
Cp,gas	1019.47	J/mol×K	919.22	Calculated Property
Cp,gas	1051.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010322; 0.0000390]	Pa×s	[433.72; 736.02]	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			-1.48529e+01
Coefficient B			3.45974e+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.			433.72
Temperature range, max.			736.02
η	0.0010322	Pa×s	433.72	Calculated Property
η	0.0005818	Pa×s	467.31	Calculated Property
η	0.0003541	Pa×s	500.90	Calculated Property
η	0.0002294	Pa×s	534.49	Calculated Property
η	0.0001565	Pa×s	568.07	Calculated Property
η	0.0001114	Pa×s	601.66	Calculated Property
η	0.0000822	Pa×s	635.25	Calculated Property
η	0.0000625	Pa×s	668.84	Calculated Property
η	0.0000488	Pa×s	702.43	Calculated Property
η	0.0000390	Pa×s	736.02	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylphenyl 2-methylhex-3-yl 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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