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

InChI

InChI=1S/C15H28O4/c1-11(2)8-7-9-18-13(16)10-14(17)19-12(3)15(4,5)6/h11-12H,7-10H2,1-6H3

InChI Key

QAVARSAJQSAKET-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CC(C)CCCOC(=O)CC(=O)OC(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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.88	kJ/mol	Joback Calculated Property
logPoct/wat	3.334		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Inp	[1636.00; 1636.00]
Inp	1636.00		NIST
Inp	1636.00		NIST
Tboil	542.39	K	Relay (1.0) Calculated Property
Tc	731.89	K	Relay (1.0) Calculated Property
Tfus	233.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.28; 757.42]	J/mol×K	[655.13; 837.78]
Cp,gas	666.28	J/mol×K	655.13	Joback Calculated Property
Cp,gas	683.84	J/mol×K	685.57	Joback Calculated Property
Cp,gas	700.42	J/mol×K	716.01	Joback Calculated Property
Cp,gas	716.05	J/mol×K	746.45	Joback Calculated Property
Cp,gas	730.75	J/mol×K	776.89	Joback Calculated Property
Cp,gas	744.53	J/mol×K	807.34	Joback Calculated Property
Cp,gas	757.42	J/mol×K	837.78	Joback Calculated Property
η	[0.0000642; 0.0065160]	Pa×s	[315.89; 655.13]
η	0.0065160	Pa×s	315.89	Joback Calculated Property
η	0.0016816	Pa×s	372.43	Joback Calculated Property
η	0.0006202	Pa×s	428.97	Joback Calculated Property
η	0.0002886	Pa×s	485.51	Joback Calculated Property
η	0.0001575	Pa×s	542.05	Joback Calculated Property
η	0.0000964	Pa×s	598.59	Joback Calculated Property
η	0.0000642	Pa×s	655.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl isohexyl 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

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.
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