Chemical Properties of Diethylmalonic acid, di(3-methylpentyl) ester

InChI

InChI=1S/C19H36O4/c1-7-15(5)11-13-22-17(20)19(9-3,10-4)18(21)23-14-12-16(6)8-2/h15-16H,7-14H2,1-6H3

InChI Key

CPDBGTXAVWPFGR-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CCC(C)CCOC(=O)C(CC)(CC)C(=O)OCCC(C)CC

Molecular Weight¹

328.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[439.13; 1018.32]	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			8.59800e+00
Coefficient B			1.83692e+00
Coefficient C			-9.98800e-04
Coefficient D			1.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.13	J/mol×K	273.00	Calculated Property
Cp,gas	541.05	J/mol×K	353.78	Calculated Property
Cp,gas	632.31	J/mol×K	434.56	Calculated Property
Cp,gas	713.46	J/mol×K	515.33	Calculated Property
Cp,gas	785.03	J/mol×K	596.11	Calculated Property
Cp,gas	847.58	J/mol×K	676.89	Calculated Property
Cp,gas	901.64	J/mol×K	757.67	Calculated Property
Cp,gas	947.75	J/mol×K	838.44	Calculated Property
Cp,gas	986.46	J/mol×K	919.22	Calculated Property
Cp,gas	1018.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033026; 0.0000647]	Pa×s	[360.97; 649.68]	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			-1.45645e+01
Coefficient B			3.19510e+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.			360.97
Temperature range, max.			649.68
η	0.0033026	Pa×s	360.97	Calculated Property
η	0.0016037	Pa×s	393.05	Calculated Property
η	0.0008684	Pa×s	425.13	Calculated Property
η	0.0005125	Pa×s	457.21	Calculated Property
η	0.0003241	Pa×s	489.28	Calculated Property
η	0.0002169	Pa×s	521.36	Calculated Property
η	0.0001520	Pa×s	553.44	Calculated Property
η	0.0001108	Pa×s	585.52	Calculated Property
η	0.0000835	Pa×s	617.60	Calculated Property
η	0.0000647	Pa×s	649.68	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(3-methylpentyl) 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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