Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl hexadecyl ester

InChI

InChI=1S/C31H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-29(32)31(7-2,8-3)30(33)35-28-24-22-23-26(4)27(28)5/h22-24H,6-21,25H2,1-5H3

InChI Key

QGESANMHSUGMMI-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

488.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[642.17; 1511.73]	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			-4.25300e+00
Coefficient B			2.76720e+00
Coefficient C			-1.54232e-03
Coefficient D			2.91100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	642.17	J/mol×K	273.00	Calculated Property
Cp,gas	794.58	J/mol×K	353.78	Calculated Property
Cp,gas	930.89	J/mol×K	434.56	Calculated Property
Cp,gas	1052.02	J/mol×K	515.33	Calculated Property
Cp,gas	1158.91	J/mol×K	596.11	Calculated Property
Cp,gas	1252.46	J/mol×K	676.89	Calculated Property
Cp,gas	1333.59	J/mol×K	757.67	Calculated Property
Cp,gas	1403.24	J/mol×K	838.44	Calculated Property
Cp,gas	1462.31	J/mol×K	919.22	Calculated Property
Cp,gas	1511.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001590; 0.0000111]	Pa×s	[577.67; 914.44]	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			-1.59831e+01
Coefficient B			4.18028e+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.			577.67
Temperature range, max.			914.44
η	0.0001590	Pa×s	577.67	Calculated Property
η	0.0001024	Pa×s	615.09	Calculated Property
η	0.0000693	Pa×s	652.51	Calculated Property
η	0.0000490	Pa×s	689.93	Calculated Property
η	0.0000359	Pa×s	727.35	Calculated Property
η	0.0000271	Pa×s	764.76	Calculated Property
η	0.0000210	Pa×s	802.18	Calculated Property
η	0.0000166	Pa×s	839.60	Calculated Property
η	0.0000134	Pa×s	877.02	Calculated Property
η	0.0000111	Pa×s	914.44	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl hexadecyl ester.

Sources

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

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