Chemical Properties of Malonic acid, 3,3-dimethylbut-2-yl propyl ester

InChI

InChI=1S/C12H22O4/c1-6-7-15-10(13)8-11(14)16-9(2)12(3,4)5/h9H,6-8H2,1-5H3

InChI Key

AEURCQIDVNSBSL-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CCCOC(=O)CC(=O)OC(C)C(C)(C)C

Molecular Weight¹

230.30

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.95; 656.64]	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			1.66430e+01
Coefficient B			1.16600e+00
Coefficient C			-6.14800e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.95	J/mol×K	273.00	Calculated Property
Cp,gas	356.13	J/mol×K	353.78	Calculated Property
Cp,gas	414.52	J/mol×K	434.56	Calculated Property
Cp,gas	466.40	J/mol×K	515.33	Calculated Property
Cp,gas	512.05	J/mol×K	596.11	Calculated Property
Cp,gas	551.75	J/mol×K	676.89	Calculated Property
Cp,gas	585.77	J/mol×K	757.67	Calculated Property
Cp,gas	614.41	J/mol×K	838.44	Calculated Property
Cp,gas	637.94	J/mol×K	919.22	Calculated Property
Cp,gas	656.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068497; 0.0001561]	Pa×s	[297.08; 539.80]	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			-1.33926e+01
Coefficient B			2.49816e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			297.08
Temperature range, max.			539.80
η	0.0068497	Pa×s	297.08	Calculated Property
η	0.0034020	Pa×s	324.05	Calculated Property
η	0.0018814	Pa×s	351.02	Calculated Property
η	0.0011323	Pa×s	377.99	Calculated Property
η	0.0007291	Pa×s	404.96	Calculated Property
η	0.0004960	Pa×s	431.93	Calculated Property
η	0.0003531	Pa×s	458.90	Calculated Property
η	0.0002610	Pa×s	485.87	Calculated Property
η	0.0001992	Pa×s	512.84	Calculated Property
η	0.0001561	Pa×s	539.80	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl propyl ester.

Sources

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

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