Chemical Properties of Diethylmalonic acid, hexadecyl 3-methylpentyl ester

InChI

InChI=1S/C29H56O4/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)29(8-3,9-4)28(31)33-25-23-26(5)7-2/h26H,6-25H2,1-5H3

InChI Key

OJYRCVVYGNIPEU-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCC(C)CC

Molecular Weight¹

468.75

• 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).
• 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, 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	[651.58; 1533.69]	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			1.19000e+00
Coefficient B			2.78100e+00
Coefficient C			-1.53960e-03
Coefficient D			2.91100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	651.58	J/mol×K	273.00	Calculated Property
Cp,gas	805.24	J/mol×K	353.78	Calculated Property
Cp,gas	942.84	J/mol×K	434.56	Calculated Property
Cp,gas	1065.30	J/mol×K	515.33	Calculated Property
Cp,gas	1173.54	J/mol×K	596.11	Calculated Property
Cp,gas	1268.49	J/mol×K	676.89	Calculated Property
Cp,gas	1351.05	J/mol×K	757.67	Calculated Property
Cp,gas	1422.16	J/mol×K	838.44	Calculated Property
Cp,gas	1482.73	J/mol×K	919.22	Calculated Property
Cp,gas	1533.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004633; 0.0000136]	Pa×s	[488.67; 843.85]	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			-1.60649e+01
Coefficient B			4.09888e+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.			488.67
Temperature range, max.			843.85
η	0.0004633	Pa×s	488.67	Calculated Property
η	0.0002476	Pa×s	528.13	Calculated Property
η	0.0001443	Pa×s	567.60	Calculated Property
η	0.0000903	Pa×s	607.06	Calculated Property
η	0.0000598	Pa×s	646.53	Calculated Property
η	0.0000415	Pa×s	685.99	Calculated Property
η	0.0000300	Pa×s	725.46	Calculated Property
η	0.0000224	Pa×s	764.92	Calculated Property
η	0.0000172	Pa×s	804.39	Calculated Property
η	0.0000136	Pa×s	843.85	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl 3-methylpentyl ester.

Sources

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

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