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

InChI

InChI=1S/C25H40O4/c1-6-9-10-11-12-13-14-15-19-28-23(26)25(7-2,8-3)24(27)29-22-18-16-17-20(4)21(22)5/h16-18H,6-15,19H2,1-5H3

InChI Key

AXCWBBCHOCIEPI-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

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

Molecular Weight¹

404.58

• 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	[514.89; 1202.18]	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			1.20100e+00
Coefficient B			2.19720e+00
Coefficient C			-1.21592e-03
Coefficient D			2.19700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.89	J/mol×K	273.00	Calculated Property
Cp,gas	636.07	J/mol×K	353.78	Calculated Property
Cp,gas	744.42	J/mol×K	434.56	Calculated Property
Cp,gas	840.65	J/mol×K	515.33	Calculated Property
Cp,gas	925.44	J/mol×K	596.11	Calculated Property
Cp,gas	999.49	J/mol×K	676.89	Calculated Property
Cp,gas	1063.49	J/mol×K	757.67	Calculated Property
Cp,gas	1118.15	J/mol×K	838.44	Calculated Property
Cp,gas	1164.14	J/mol×K	919.22	Calculated Property
Cp,gas	1202.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003745; 0.0000302]	Pa×s	[510.05; 790.78]	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			-1.49781e+01
Coefficient B			3.61532e+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.			510.05
Temperature range, max.			790.78
η	0.0003745	Pa×s	510.05	Calculated Property
η	0.0002489	Pa×s	541.24	Calculated Property
η	0.0001730	Pa×s	572.43	Calculated Property
η	0.0001248	Pa×s	603.63	Calculated Property
η	0.0000930	Pa×s	634.82	Calculated Property
η	0.0000712	Pa×s	666.01	Calculated Property
η	0.0000559	Pa×s	697.20	Calculated Property
η	0.0000447	Pa×s	728.39	Calculated Property
η	0.0000365	Pa×s	759.59	Calculated Property
η	0.0000302	Pa×s	790.78	Calculated Property

Similar Compounds

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

Sources

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

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