Chemical Properties of Diethylmalonic acid, nonyl octadecyl ester

InChI

InChI=1S/C34H66O4/c1-5-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-38-33(36)34(7-3,8-4)32(35)37-30-28-26-24-14-12-10-6-2/h5-31H2,1-4H3

InChI Key

CSIHGEWBPBUXJB-UHFFFAOYSA-N

Formula

C34H66O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCCCCCCC

Molecular Weight¹

538.89

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.96; 1791.11]	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			-1.67300e+00
Coefficient B			3.25008e+00
Coefficient C			-1.80840e-03
Coefficient D			3.51100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	757.96	J/mol×K	273.00	Calculated Property
Cp,gas	937.34	J/mol×K	353.78	Calculated Property
Cp,gas	1097.98	J/mol×K	434.56	Calculated Property
Cp,gas	1241.00	J/mol×K	515.33	Calculated Property
Cp,gas	1367.50	J/mol×K	596.11	Calculated Property
Cp,gas	1478.59	J/mol×K	676.89	Calculated Property
Cp,gas	1575.39	J/mol×K	757.67	Calculated Property
Cp,gas	1659.00	J/mol×K	838.44	Calculated Property
Cp,gas	1730.53	J/mol×K	919.22	Calculated Property
Cp,gas	1791.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001676; 0.0000053]	Pa×s	[560.02; 976.61]	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			-1.67865e+01
Coefficient B			4.53186e+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.			560.02
Temperature range, max.			976.61
η	0.0001676	Pa×s	560.02	Calculated Property
η	0.0000903	Pa×s	606.31	Calculated Property
η	0.0000532	Pa×s	652.59	Calculated Property
η	0.0000336	Pa×s	698.88	Calculated Property
η	0.0000224	Pa×s	745.17	Calculated Property
η	0.0000157	Pa×s	791.46	Calculated Property
η	0.0000115	Pa×s	837.74	Calculated Property
η	0.0000086	Pa×s	884.03	Calculated Property
η	0.0000067	Pa×s	930.32	Calculated Property
η	0.0000053	Pa×s	976.61	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl octadecyl ester.

Sources

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

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