Chemical Properties of Diethylmalonic acid, 2-hexyl octadecyl ester

InChI

InChI=1S/C31H60O4/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-34-29(32)31(8-3,9-4)30(33)35-28(5)26-11-7-2/h28H,6-27H2,1-5H3

InChI Key

JIGSVBACBMTGPN-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

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

Molecular Weight¹

496.81

• 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).
• 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, 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	[694.01; 1636.87]	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			-6.28000e-01
Coefficient B			2.97100e+00
Coefficient C			-1.64840e-03
Coefficient D			3.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	694.01	J/mol×K	273.00	Calculated Property
Cp,gas	858.08	J/mol×K	353.78	Calculated Property
Cp,gas	1005.00	J/mol×K	434.56	Calculated Property
Cp,gas	1135.76	J/mol×K	515.33	Calculated Property
Cp,gas	1251.37	J/mol×K	596.11	Calculated Property
Cp,gas	1352.81	J/mol×K	676.89	Calculated Property
Cp,gas	1441.09	J/mol×K	757.67	Calculated Property
Cp,gas	1517.19	J/mol×K	838.44	Calculated Property
Cp,gas	1582.12	J/mol×K	919.22	Calculated Property
Cp,gas	1636.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003293; 0.0000092]	Pa×s	[511.21; 892.10]	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			-1.64048e+01
Coefficient B			4.28720e+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.			511.21
Temperature range, max.			892.10
η	0.0003293	Pa×s	511.21	Calculated Property
η	0.0001735	Pa×s	553.53	Calculated Property
η	0.0001001	Pa×s	595.85	Calculated Property
η	0.0000621	Pa×s	638.17	Calculated Property
η	0.0000409	Pa×s	680.49	Calculated Property
η	0.0000283	Pa×s	722.82	Calculated Property
η	0.0000204	Pa×s	765.14	Calculated Property
η	0.0000152	Pa×s	807.46	Calculated Property
η	0.0000117	Pa×s	849.78	Calculated Property
η	0.0000092	Pa×s	892.10	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-hexyl octadecyl 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.