Chemical Properties of Propanedioic acid, oxo-, bis(2-methylpropyl) ester (CAS 92778-43-3)

InChI

InChI=1S/C11H18O5/c1-7(2)5-15-10(13)9(12)11(14)16-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

KTQZIUYTZLTGJE-UHFFFAOYSA-N

Formula

C11H18O5

SMILES

CC(C)COC(=O)C(=O)C(=O)OCC(C)C

Molecular Weight¹

230.26

CAS

92778-43-3

Other Names

• Mesoxalic acid, diisobutyl 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).
• 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	[271.80; 593.14]	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			4.77020e+01
Coefficient B			9.23080e-01
Coefficient C			-3.73100e-04
Coefficient D			-4.54000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.80	J/mol×K	273.00	Calculated Property
Cp,gas	327.37	J/mol×K	353.78	Calculated Property
Cp,gas	378.00	J/mol×K	434.56	Calculated Property
Cp,gas	423.69	J/mol×K	515.33	Calculated Property
Cp,gas	464.42	J/mol×K	596.11	Calculated Property
Cp,gas	500.17	J/mol×K	676.89	Calculated Property
Cp,gas	530.93	J/mol×K	757.67	Calculated Property
Cp,gas	556.69	J/mol×K	838.44	Calculated Property
Cp,gas	577.43	J/mol×K	919.22	Calculated Property
Cp,gas	593.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052157; 0.0001805]	Pa×s	[318.32; 565.87]	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			-1.29448e+01
Coefficient B			2.44747e+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.			318.32
Temperature range, max.			565.87
η	0.0052157	Pa×s	318.32	Calculated Property
η	0.0028296	Pa×s	345.83	Calculated Property
η	0.0016799	Pa×s	373.33	Calculated Property
η	0.0010713	Pa×s	400.84	Calculated Property
η	0.0007238	Pa×s	428.34	Calculated Property
η	0.0005127	Pa×s	455.85	Calculated Property
η	0.0003777	Pa×s	483.36	Calculated Property
η	0.0002876	Pa×s	510.86	Calculated Property
η	0.0002252	Pa×s	538.37	Calculated Property
η	0.0001805	Pa×s	565.87	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, oxo-, bis(2-methylpropyl) ester.

Sources

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

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