Chemical Properties of Diethylmalonic acid, isopropyl octyl ester

InChI

InChI=1S/C18H34O4/c1-6-9-10-11-12-13-14-21-16(19)18(7-2,8-3)17(20)22-15(4)5/h15H,6-14H2,1-5H3

InChI Key

ARIDTRLHYITJNW-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C

Molecular Weight¹

314.46

• 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	[418.23; 966.19]	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			1.11890e+01
Coefficient B			1.73600e+00
Coefficient C			-9.41200e-04
Coefficient D			1.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.23	J/mol×K	273.00	Calculated Property
Cp,gas	514.64	J/mol×K	353.78	Calculated Property
Cp,gas	600.99	J/mol×K	434.56	Calculated Property
Cp,gas	677.78	J/mol×K	515.33	Calculated Property
Cp,gas	745.52	J/mol×K	596.11	Calculated Property
Cp,gas	804.71	J/mol×K	676.89	Calculated Property
Cp,gas	855.87	J/mol×K	757.67	Calculated Property
Cp,gas	899.50	J/mol×K	838.44	Calculated Property
Cp,gas	936.10	J/mol×K	919.22	Calculated Property
Cp,gas	966.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028057; 0.0000802]	Pa×s	[364.70; 632.28]	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			-1.42751e+01
Coefficient B			3.06312e+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.			364.70
Temperature range, max.			632.28
η	0.0028057	Pa×s	364.70	Calculated Property
η	0.0014897	Pa×s	394.43	Calculated Property
η	0.0008643	Pa×s	424.16	Calculated Property
η	0.0005386	Pa×s	453.89	Calculated Property
η	0.0003557	Pa×s	483.62	Calculated Property
η	0.0002465	Pa×s	513.36	Calculated Property
η	0.0001778	Pa×s	543.09	Calculated Property
η	0.0001327	Pa×s	572.82	Calculated Property
η	0.0001019	Pa×s	602.55	Calculated Property
η	0.0000802	Pa×s	632.28	Calculated Property

Similar Compounds

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

Sources

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

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