Chemical Properties of Dimethylmalonic acid, butyl isobutyl ester

InChI

InChI=1S/C13H24O4/c1-6-7-8-16-11(14)13(4,5)12(15)17-9-10(2)3/h10H,6-9H2,1-5H3

InChI Key

MZTUUMXZESEQDF-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

CCCCOC(=O)C(C)(C)C(=O)OCC(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	[312.16; 708.23]	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			1.57340e+01
Coefficient B			1.26100e+00
Coefficient C			-6.69200e-04
Coefficient D			1.00700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.16	J/mol×K	273.00	Calculated Property
Cp,gas	382.55	J/mol×K	353.78	Calculated Property
Cp,gas	445.60	J/mol×K	434.56	Calculated Property
Cp,gas	501.63	J/mol×K	515.33	Calculated Property
Cp,gas	550.96	J/mol×K	596.11	Calculated Property
Cp,gas	593.91	J/mol×K	676.89	Calculated Property
Cp,gas	630.79	J/mol×K	757.67	Calculated Property
Cp,gas	661.93	J/mol×K	838.44	Calculated Property
Cp,gas	687.63	J/mol×K	919.22	Calculated Property
Cp,gas	708.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059438; 0.0001422]	Pa×s	[308.35; 554.61]	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			-1.35325e+01
Coefficient B			2.59232e+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.			308.35
Temperature range, max.			554.61
η	0.0059438	Pa×s	308.35	Calculated Property
η	0.0029956	Pa×s	335.71	Calculated Property
η	0.0016740	Pa×s	363.07	Calculated Property
η	0.0010149	Pa×s	390.44	Calculated Property
η	0.0006570	Pa×s	417.80	Calculated Property
η	0.0004487	Pa×s	445.16	Calculated Property
η	0.0003203	Pa×s	472.52	Calculated Property
η	0.0002372	Pa×s	499.88	Calculated Property
η	0.0001812	Pa×s	527.25	Calculated Property
η	0.0001422	Pa×s	554.61	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.