Chemical Properties of Diethylmalonic acid, 3-methylbenzyl tridecyl ester

InChI

InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-16-17-21-31-26(29)28(6-2,7-3)27(30)32-23-25-20-18-19-24(4)22-25/h18-20,22H,5-17,21,23H2,1-4H3

InChI Key

YFMJLRXKUJAOLV-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1

Molecular Weight¹

446.66

• 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).
• 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_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 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	[575.98; 1359.99]	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			-1.58250e+01
Coefficient B			2.54168e+00
Coefficient C			-1.44616e-03
Coefficient D			2.80300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	575.98	J/mol×K	273.00	Calculated Property
Cp,gas	714.78	J/mol×K	353.78	Calculated Property
Cp,gas	838.59	J/mol×K	434.56	Calculated Property
Cp,gas	948.29	J/mol×K	515.33	Calculated Property
Cp,gas	1044.78	J/mol×K	596.11	Calculated Property
Cp,gas	1128.94	J/mol×K	676.89	Calculated Property
Cp,gas	1201.66	J/mol×K	757.67	Calculated Property
Cp,gas	1263.81	J/mol×K	838.44	Calculated Property
Cp,gas	1316.30	J/mol×K	919.22	Calculated Property
Cp,gas	1360.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002922; 0.0000185]	Pa×s	[531.34; 844.72]	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			-1.55702e+01
Coefficient B			3.94906e+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.			531.34
Temperature range, max.			844.72
η	0.0002922	Pa×s	531.34	Calculated Property
η	0.0001850	Pa×s	566.16	Calculated Property
η	0.0001235	Pa×s	600.98	Calculated Property
η	0.0000862	Pa×s	635.80	Calculated Property
η	0.0000624	Pa×s	670.62	Calculated Property
η	0.0000467	Pa×s	705.44	Calculated Property
η	0.0000359	Pa×s	740.26	Calculated Property
η	0.0000282	Pa×s	775.08	Calculated Property
η	0.0000227	Pa×s	809.90	Calculated Property
η	0.0000185	Pa×s	844.72	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl tridecyl ester.

Sources

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

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