Chemical Properties of Diethylmalonic acid, 5-methylhex-2-yl octyl ester

InChI

InChI=1S/C22H42O4/c1-7-10-11-12-13-14-17-25-20(23)22(8-2,9-3)21(24)26-19(6)16-15-18(4)5/h18-19H,7-17H2,1-6H3

InChI Key

IBAQSTMIACDGCT-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)CCC(C)C

Molecular Weight¹

370.57

• 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).
• Δ_vapH° : Enthalpy of vaporization 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_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 Pressure, Critical Volume, Enthalpy of formation 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	[502.77; 1173.09]	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			5.87100e+00
Coefficient B			2.12192e+00
Coefficient C			-1.16200e-03
Coefficient D			2.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.77	J/mol×K	273.00	Calculated Property
Cp,gas	620.30	J/mol×K	353.78	Calculated Property
Cp,gas	725.54	J/mol×K	434.56	Calculated Property
Cp,gas	819.15	J/mol×K	515.33	Calculated Property
Cp,gas	901.77	J/mol×K	596.11	Calculated Property
Cp,gas	974.06	J/mol×K	676.89	Calculated Property
Cp,gas	1036.69	J/mol×K	757.67	Calculated Property
Cp,gas	1090.30	J/mol×K	838.44	Calculated Property
Cp,gas	1135.55	J/mol×K	919.22	Calculated Property
Cp,gas	1173.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019654; 0.0000418]	Pa×s	[394.78; 701.23]	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			-1.50409e+01
Coefficient B			3.47758e+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.			394.78
Temperature range, max.			701.23
η	0.0019654	Pa×s	394.78	Calculated Property
η	0.0009765	Pa×s	428.83	Calculated Property
η	0.0005378	Pa×s	462.88	Calculated Property
η	0.0003214	Pa×s	496.93	Calculated Property
η	0.0002052	Pa×s	530.98	Calculated Property
η	0.0001383	Pa×s	565.03	Calculated Property
η	0.0000975	Pa×s	599.08	Calculated Property
η	0.0000713	Pa×s	633.13	Calculated Property
η	0.0000539	Pa×s	667.18	Calculated Property
η	0.0000418	Pa×s	701.23	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 5-methylhex-2-yl octyl 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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