Chemical Properties of Diethylmalonic acid, heptadecyl hept-4-yl ester

InChI

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

InChI Key

GRJFXMSLKSAQSV-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

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

Molecular Weight¹

496.82

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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
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, heptadecyl hept-4-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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