Chemical Properties of Diethylmalonic acid, isobutyl isopropyl ester

InChI

InChI=1S/C14H26O4/c1-7-14(8-2,13(16)18-11(5)6)12(15)17-9-10(3)4/h10-11H,7-9H2,1-6H3

InChI Key

SKNOKACUEWPNDU-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C)C

Molecular Weight¹

258.35

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.06; 760.36]	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			1.31430e+01
Coefficient B			1.36192e+00
Coefficient C			-7.26800e-04
Coefficient D			1.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.06	J/mol×K	273.00	Calculated Property
Cp,gas	408.96	J/mol×K	353.78	Calculated Property
Cp,gas	476.92	J/mol×K	434.56	Calculated Property
Cp,gas	537.31	J/mol×K	515.33	Calculated Property
Cp,gas	590.48	J/mol×K	596.11	Calculated Property
Cp,gas	636.77	J/mol×K	676.89	Calculated Property
Cp,gas	676.56	J/mol×K	757.67	Calculated Property
Cp,gas	710.18	J/mol×K	838.44	Calculated Property
Cp,gas	738.00	J/mol×K	919.22	Calculated Property
Cp,gas	760.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077012; 0.0001184]	Pa×s	[304.62; 571.38]	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			-1.38097e+01
Coefficient B			2.72430e+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.			304.62
Temperature range, max.			571.38
η	0.0077012	Pa×s	304.62	Calculated Property
η	0.0034846	Pa×s	334.26	Calculated Property
η	0.0017941	Pa×s	363.90	Calculated Property
η	0.0010209	Pa×s	393.54	Calculated Property
η	0.0006286	Pa×s	423.18	Calculated Property
η	0.0004125	Pa×s	452.82	Calculated Property
η	0.0002850	Pa×s	482.46	Calculated Property
η	0.0002056	Pa×s	512.10	Calculated Property
η	0.0001536	Pa×s	541.74	Calculated Property
η	0.0001184	Pa×s	571.38	Calculated Property

Similar Compounds

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

Sources

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

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