Chemical Properties of Diethylmalonic acid, dodecyl 2-ethoxylethyl ester

InChI

InChI=1S/C23H44O5/c1-5-9-10-11-12-13-14-15-16-17-18-27-21(24)23(6-2,7-3)22(25)28-20-19-26-8-4/h5-20H2,1-4H3

InChI Key

JKXJMHTWXWRRMB-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCOCC

Molecular Weight¹

400.59

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[540.02; 1242.11]	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			3.38260e+01
Coefficient B			2.14188e+00
Coefficient C			-1.09900e-03
Coefficient D			1.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	540.02	J/mol×K	273.00	Calculated Property
Cp,gas	661.35	J/mol×K	353.78	Calculated Property
Cp,gas	770.63	J/mol×K	434.56	Calculated Property
Cp,gas	868.38	J/mol×K	515.33	Calculated Property
Cp,gas	955.13	J/mol×K	596.11	Calculated Property
Cp,gas	1031.40	J/mol×K	676.89	Calculated Property
Cp,gas	1097.71	J/mol×K	757.67	Calculated Property
Cp,gas	1154.58	J/mol×K	838.44	Calculated Property
Cp,gas	1202.54	J/mol×K	919.22	Calculated Property
Cp,gas	1242.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006206; 0.0000311]	Pa×s	[458.28; 738.29]	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			-1.52800e+01
Coefficient B			3.61819e+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.			458.28
Temperature range, max.			738.29
η	0.0006206	Pa×s	458.28	Calculated Property
η	0.0003757	Pa×s	489.39	Calculated Property
η	0.0002415	Pa×s	520.50	Calculated Property
η	0.0001632	Pa×s	551.62	Calculated Property
η	0.0001150	Pa×s	582.73	Calculated Property
η	0.0000839	Pa×s	613.84	Calculated Property
η	0.0000631	Pa×s	644.95	Calculated Property
η	0.0000488	Pa×s	676.07	Calculated Property
η	0.0000385	Pa×s	707.18	Calculated Property
η	0.0000311	Pa×s	738.29	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2-ethoxylethyl ester.

Sources

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

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