Chemical Properties of Diethylmalonic acid, hexadecyl hexyl ester

InChI

InChI=1S/C29H56O4/c1-5-9-11-13-14-15-16-17-18-19-20-21-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-12-10-6-2/h5-26H2,1-4H3

InChI Key

CJJYNYZDJSIOAI-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCCCC

Molecular Weight¹

468.76

• 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	[651.90; 1533.15]	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			2.87200e+00
Coefficient B			2.77508e+00
Coefficient C			-1.53640e-03
Coefficient D			2.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	651.90	J/mol×K	273.00	Calculated Property
Cp,gas	805.25	J/mol×K	353.78	Calculated Property
Cp,gas	942.60	J/mol×K	434.56	Calculated Property
Cp,gas	1064.85	J/mol×K	515.33	Calculated Property
Cp,gas	1172.94	J/mol×K	596.11	Calculated Property
Cp,gas	1267.78	J/mol×K	676.89	Calculated Property
Cp,gas	1350.30	J/mol×K	757.67	Calculated Property
Cp,gas	1421.42	J/mol×K	838.44	Calculated Property
Cp,gas	1482.07	J/mol×K	919.22	Calculated Property
Cp,gas	1533.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003828; 0.0000147]	Pa×s	[503.67; 845.59]	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			-1.59309e+01
Coefficient B			4.06106e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			503.67
Temperature range, max.			845.59
η	0.0003828	Pa×s	503.67	Calculated Property
η	0.0002175	Pa×s	541.66	Calculated Property
η	0.0001330	Pa×s	579.65	Calculated Property
η	0.0000865	Pa×s	617.64	Calculated Property
η	0.0000591	Pa×s	655.63	Calculated Property
η	0.0000421	Pa×s	693.62	Calculated Property
η	0.0000310	Pa×s	731.62	Calculated Property
η	0.0000236	Pa×s	769.61	Calculated Property
η	0.0000184	Pa×s	807.60	Calculated Property
η	0.0000147	Pa×s	845.59	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl hexyl ester.

Sources

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

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