Chemical Properties of Propanedioic acid, bis(1-methylpropyl) ester

InChI

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

InChI Key

QQXQNPKZBSJJTA-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

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

Molecular Weight¹

216.28

Other Names

• Malonic acid, di-sec-butyl ester
• Di-sec-butyl malonate
• Malonic acid, di(2-butyl) ester

• 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	[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
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 Propanedioic acid, bis(1-methylpropyl) ester.

Sources

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

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