Chemical Properties of Malonic acid, di(3,3-dimethylbut-2-yl) ester

InChI

InChI=1S/C15H28O4/c1-10(14(3,4)5)18-12(16)9-13(17)19-11(2)15(6,7)8/h10-11H,9H2,1-8H3

InChI Key

CTNTWNUYQRQTPR-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

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

Molecular Weight¹

272.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.47	kJ/mol	Joback Calculated Property
logPoct/wat	3.332		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Inp	[1562.00; 1562.00]
Inp	1562.00		NIST
Inp	1562.00		NIST
Tboil	525.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[352.81; 813.42]	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			-1.22390e+01
Coefficient B			1.58276e+00
Coefficient C			-9.53000e-04
Coefficient D			1.95900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.81	J/mol×K	273.00	Calculated Property
Cp,gas	437.10	J/mol×K	353.78	Calculated Property
Cp,gas	511.67	J/mol×K	434.56	Calculated Property
Cp,gas	577.13	J/mol×K	515.33	Calculated Property
Cp,gas	634.11	J/mol×K	596.11	Calculated Property
Cp,gas	683.23	J/mol×K	676.89	Calculated Property
Cp,gas	725.09	J/mol×K	757.67	Calculated Property
Cp,gas	760.34	J/mol×K	838.44	Calculated Property
Cp,gas	789.57	J/mol×K	919.22	Calculated Property
Cp,gas	813.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075996; 0.0000909]	Pa×s	[318.31; 590.05]	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			-1.44898e+01
Coefficient B			3.05900e+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.			318.31
Temperature range, max.			590.05
η	0.0075996	Pa×s	318.31	Calculated Property
η	0.0033052	Pa×s	348.50	Calculated Property
η	0.0016416	Pa×s	378.70	Calculated Property
η	0.0009041	Pa×s	408.89	Calculated Property
η	0.0005405	Pa×s	439.08	Calculated Property
η	0.0003453	Pa×s	469.28	Calculated Property
η	0.0002328	Pa×s	499.47	Calculated Property
η	0.0001642	Pa×s	529.66	Calculated Property
η	0.0001203	Pa×s	559.86	Calculated Property
η	0.0000909	Pa×s	590.05	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, di(3,3-dimethylbut-2-yl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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