Chemical Properties of Diethyl isobutylmalonate (CAS 10203-58-4)

InChI

InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3

InChI Key

OFRFGNSZCYDFOH-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCOC(=O)C(CC(C)C)C(=O)OCC

Molecular Weight¹

216.27

CAS

10203-58-4

Other Names

• Ethyl 2-carbethoxy-4-methyl pentanoate
• Ethyl isobutyl malonate
• Isobutylmalonic acid diethyl ester
• Propanedioic acid, (2-methylpropyl)-, diethyl ester
• Malonic acid, isobutyl-, diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.88; 604.12]	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			4.03430e+01
Coefficient B			9.51080e-01
Coefficient C			-3.91800e-04
Coefficient D			4.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.88	J/mol×K	273.00	Calculated Property
Cp,gas	327.98	J/mol×K	353.78	Calculated Property
Cp,gas	380.02	J/mol×K	434.56	Calculated Property
Cp,gas	427.03	J/mol×K	515.33	Calculated Property
Cp,gas	469.02	J/mol×K	596.11	Calculated Property
Cp,gas	506.00	J/mol×K	676.89	Calculated Property
Cp,gas	537.99	J/mol×K	757.67	Calculated Property
Cp,gas	564.99	J/mol×K	838.44	Calculated Property
Cp,gas	587.03	J/mol×K	919.22	Calculated Property
Cp,gas	604.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095173; 0.0001759]	Pa×s	[268.39; 522.77]	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			-1.28564e+01
Coefficient B			2.20128e+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.			268.39
Temperature range, max.			522.77
η	0.0095173	Pa×s	268.39	Calculated Property
η	0.0043565	Pa×s	296.65	Calculated Property
η	0.0022846	Pa×s	324.92	Calculated Property
η	0.0013285	Pa×s	353.18	Calculated Property
η	0.0008371	Pa×s	381.45	Calculated Property
η	0.0005622	Pa×s	409.71	Calculated Property
η	0.0003975	Pa×s	437.98	Calculated Property
η	0.0002931	Pa×s	466.24	Calculated Property
η	0.0002238	Pa×s	494.50	Calculated Property
η	0.0001759	Pa×s	522.77	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl isobutylmalonate.

Sources

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

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