Chemical Properties of Diethylmalonic acid, dodecyl isopropyl ester

InChI

InChI=1S/C22H42O4/c1-6-9-10-11-12-13-14-15-16-17-18-25-20(23)22(7-2,8-3)21(24)26-19(4)5/h19H,6-18H2,1-5H3

InChI Key

UCUOXIXVHTWZAA-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C

Molecular Weight¹

370.57

• 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).
• 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, 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	[503.08; 1172.55]	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			7.55300e+00
Coefficient B			2.11600e+00
Coefficient C			-1.15880e-03
Coefficient D			2.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.08	J/mol×K	273.00	Calculated Property
Cp,gas	620.31	J/mol×K	353.78	Calculated Property
Cp,gas	725.30	J/mol×K	434.56	Calculated Property
Cp,gas	818.70	J/mol×K	515.33	Calculated Property
Cp,gas	901.16	J/mol×K	596.11	Calculated Property
Cp,gas	973.36	J/mol×K	676.89	Calculated Property
Cp,gas	1035.94	J/mol×K	757.67	Calculated Property
Cp,gas	1089.56	J/mol×K	838.44	Calculated Property
Cp,gas	1134.88	J/mol×K	919.22	Calculated Property
Cp,gas	1172.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014843; 0.0000454]	Pa×s	[409.78; 700.97]	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			-1.49069e+01
Coefficient B			3.43976e+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.			409.78
Temperature range, max.			700.97
η	0.0014843	Pa×s	409.78	Calculated Property
η	0.0008031	Pa×s	442.13	Calculated Property
η	0.0004725	Pa×s	474.49	Calculated Property
η	0.0002974	Pa×s	506.84	Calculated Property
η	0.0001979	Pa×s	539.20	Calculated Property
η	0.0001379	Pa×s	571.55	Calculated Property
η	0.0000999	Pa×s	603.91	Calculated Property
η	0.0000748	Pa×s	636.26	Calculated Property
η	0.0000576	Pa×s	668.62	Calculated Property
η	0.0000454	Pa×s	700.97	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl isopropyl ester.

Sources

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

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