Chemical Properties of Malonic acid, hexadecyl isobutyl ester

InChI

InChI=1S/C23H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22(24)19-23(25)27-20-21(2)3/h21H,4-20H2,1-3H3

InChI Key

NVKNMHHJNRCDBI-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(=O)OCC(C)C

Molecular Weight¹

384.60

• 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	[525.76; 1222.68]	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			3.11170e+01
Coefficient B			2.08516e+00
Coefficient C			-1.04140e-03
Coefficient D			1.47800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.76	J/mol×K	273.00	Calculated Property
Cp,gas	645.00	J/mol×K	353.78	Calculated Property
Cp,gas	752.71	J/mol×K	434.56	Calculated Property
Cp,gas	849.33	J/mol×K	515.33	Calculated Property
Cp,gas	935.35	J/mol×K	596.11	Calculated Property
Cp,gas	1011.23	J/mol×K	676.89	Calculated Property
Cp,gas	1077.43	J/mol×K	757.67	Calculated Property
Cp,gas	1134.43	J/mol×K	838.44	Calculated Property
Cp,gas	1182.69	J/mol×K	919.22	Calculated Property
Cp,gas	1222.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012713; 0.0000468]	Pa×s	[418.63; 721.49]	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			-1.45348e+01
Coefficient B			3.29338e+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.			418.63
Temperature range, max.			721.49
η	0.0012713	Pa×s	418.63	Calculated Property
η	0.0007080	Pa×s	452.28	Calculated Property
η	0.0004276	Pa×s	485.93	Calculated Property
η	0.0002757	Pa×s	519.58	Calculated Property
η	0.0001875	Pa×s	553.23	Calculated Property
η	0.0001333	Pa×s	586.88	Calculated Property
η	0.0000983	Pa×s	620.54	Calculated Property
η	0.0000748	Pa×s	654.19	Calculated Property
η	0.0000585	Pa×s	687.84	Calculated Property
η	0.0000468	Pa×s	721.49	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, hexadecyl isobutyl ester.

Sources

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

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