Chemical Properties of Diethylmalonic acid, dodecyl 2-formylphenyl ester

InChI

InChI=1S/C26H40O5/c1-4-7-8-9-10-11-12-13-14-17-20-30-24(28)26(5-2,6-3)25(29)31-23-19-16-15-18-22(23)21-27/h15-16,18-19,21H,4-14,17,20H2,1-3H3

InChI Key

ZDRIZTCWPOFZKI-UHFFFAOYSA-N

Formula

C26H40O5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

432.59

• 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	[538.46; 1247.59]	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			-2.60700e+00
Coefficient B			2.32616e+00
Coefficient C			-1.33036e-03
Coefficient D			2.54400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	538.46	J/mol×K	273.00	Calculated Property
Cp,gas	665.09	J/mol×K	353.78	Calculated Property
Cp,gas	777.89	J/mol×K	434.56	Calculated Property
Cp,gas	877.66	J/mol×K	515.33	Calculated Property
Cp,gas	965.19	J/mol×K	596.11	Calculated Property
Cp,gas	1041.30	J/mol×K	676.89	Calculated Property
Cp,gas	1106.79	J/mol×K	757.67	Calculated Property
Cp,gas	1162.47	J/mol×K	838.44	Calculated Property
Cp,gas	1209.13	J/mol×K	919.22	Calculated Property
Cp,gas	1247.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003286; 0.0000267]	Pa×s	[550.80; 846.78]	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			-1.51982e+01
Coefficient B			3.95337e+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.			550.80
Temperature range, max.			846.78
η	0.0003286	Pa×s	550.80	Calculated Property
η	0.0002193	Pa×s	583.69	Calculated Property
η	0.0001528	Pa×s	616.57	Calculated Property
η	0.0001104	Pa×s	649.46	Calculated Property
η	0.0000824	Pa×s	682.35	Calculated Property
η	0.0000631	Pa×s	715.23	Calculated Property
η	0.0000495	Pa×s	748.12	Calculated Property
η	0.0000396	Pa×s	781.01	Calculated Property
η	0.0000323	Pa×s	813.90	Calculated Property
η	0.0000267	Pa×s	846.78	Calculated Property

Similar Compounds

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

Sources

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

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