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

InChI

InChI=1S/C20H38O4/c1-7-10-11-12-15-23-18(21)20(8-2,9-3)19(22)24-17(6)14-13-16(4)5/h16-17H,7-15H2,1-6H3

InChI Key

DLBWSRIAINFMEH-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

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

Molecular Weight¹

342.51

• 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).
• 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	[460.34; 1069.91]	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			7.68900e+00
Coefficient B			1.93192e+00
Coefficient C			-1.05320e-03
Coefficient D			1.83500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	460.34	J/mol×K	273.00	Calculated Property
Cp,gas	567.47	J/mol×K	353.78	Calculated Property
Cp,gas	663.39	J/mol×K	434.56	Calculated Property
Cp,gas	748.69	J/mol×K	515.33	Calculated Property
Cp,gas	823.95	J/mol×K	596.11	Calculated Property
Cp,gas	889.74	J/mol×K	676.89	Calculated Property
Cp,gas	946.65	J/mol×K	757.67	Calculated Property
Cp,gas	995.27	J/mol×K	838.44	Calculated Property
Cp,gas	1036.16	J/mol×K	919.22	Calculated Property
Cp,gas	1069.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027801; 0.0000562]	Pa×s	[372.24; 666.40]	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			-1.47217e+01
Coefficient B			3.28926e+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.			372.24
Temperature range, max.			666.40
η	0.0027801	Pa×s	372.24	Calculated Property
η	0.0013624	Pa×s	404.92	Calculated Property
η	0.0007427	Pa×s	437.61	Calculated Property
η	0.0004405	Pa×s	470.29	Calculated Property
η	0.0002796	Pa×s	502.98	Calculated Property
η	0.0001876	Pa×s	535.66	Calculated Property
η	0.0001318	Pa×s	568.35	Calculated Property
η	0.0000962	Pa×s	601.03	Calculated Property
η	0.0000725	Pa×s	633.72	Calculated Property
η	0.0000562	Pa×s	666.40	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.