Chemical Properties of Diethylmalonic acid, isobutyl 5-methylhex-2-yl ester

InChI

InChI=1S/C18H34O4/c1-8-18(9-2,16(19)21-12-14(5)6)17(20)22-15(7)11-10-13(3)4/h13-15H,8-12H2,1-7H3

InChI Key

JRKBKQYGSHWCFH-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C)CCC(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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[417.60; 967.26]	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			7.82500e+00
Coefficient B			1.74784e+00
Coefficient C			-9.47600e-04
Coefficient D			1.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.60	J/mol×K	273.00	Calculated Property
Cp,gas	514.62	J/mol×K	353.78	Calculated Property
Cp,gas	601.48	J/mol×K	434.56	Calculated Property
Cp,gas	678.68	J/mol×K	515.33	Calculated Property
Cp,gas	746.73	J/mol×K	596.11	Calculated Property
Cp,gas	806.12	J/mol×K	676.89	Calculated Property
Cp,gas	857.37	J/mol×K	757.67	Calculated Property
Cp,gas	900.97	J/mol×K	838.44	Calculated Property
Cp,gas	937.44	J/mol×K	919.22	Calculated Property
Cp,gas	967.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057114; 0.0000680]	Pa×s	[334.70; 634.51]	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			-1.45431e+01
Coefficient B			3.13876e+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.			334.70
Temperature range, max.			634.51
η	0.0057114	Pa×s	334.70	Calculated Property
η	0.0024439	Pa×s	368.01	Calculated Property
η	0.0012040	Pa×s	401.33	Calculated Property
η	0.0006611	Pa×s	434.64	Calculated Property
η	0.0003954	Pa×s	467.95	Calculated Property
η	0.0002532	Pa×s	501.26	Calculated Property
η	0.0001714	Pa×s	534.58	Calculated Property
η	0.0001214	Pa×s	567.89	Calculated Property
η	0.0000894	Pa×s	601.20	Calculated Property
η	0.0000680	Pa×s	634.51	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 5-methylhex-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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