Chemical Properties of Malonic acid, isobutyl 4-methylpent-2-yl ester

InChI

InChI=1S/C13H24O4/c1-9(2)6-11(5)17-13(15)7-12(14)16-8-10(3)4/h9-11H,6-8H2,1-5H3

InChI Key

JLCFGOHNNGILFF-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

CC(C)COC(=O)CC(=O)OC(C)CC(C)C

Molecular Weight¹

244.33

• 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	[312.99; 707.84]	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			3.68430e+01
Coefficient B			1.14700e+00
Coefficient C			-5.03800e-04
Coefficient D			2.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.99	J/mol×K	273.00	Calculated Property
Cp,gas	380.80	J/mol×K	353.78	Calculated Property
Cp,gas	442.42	J/mol×K	434.56	Calculated Property
Cp,gas	497.94	J/mol×K	515.33	Calculated Property
Cp,gas	547.45	J/mol×K	596.11	Calculated Property
Cp,gas	591.03	J/mol×K	676.89	Calculated Property
Cp,gas	628.77	J/mol×K	757.67	Calculated Property
Cp,gas	660.76	J/mol×K	838.44	Calculated Property
Cp,gas	687.09	J/mol×K	919.22	Calculated Property
Cp,gas	707.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0114560; 0.0001379]	Pa×s	[275.93; 554.53]	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			-1.32665e+01
Coefficient B			2.42742e+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.			275.93
Temperature range, max.			554.53
η	0.0114560	Pa×s	275.93	Calculated Property
η	0.0047168	Pa×s	306.89	Calculated Property
η	0.0022850	Pa×s	337.84	Calculated Property
η	0.0012502	Pa×s	368.80	Calculated Property
η	0.0007510	Pa×s	399.75	Calculated Property
η	0.0004854	Pa×s	430.71	Calculated Property
η	0.0003326	Pa×s	461.66	Calculated Property
η	0.0002390	Pa×s	492.62	Calculated Property
η	0.0001786	Pa×s	523.57	Calculated Property
η	0.0001379	Pa×s	554.53	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, isobutyl 4-methylpent-2-yl ester.

Sources

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

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