Chemical Properties of Dimethylmalonic acid, isobutyl octyl ester

InChI

InChI=1S/C17H32O4/c1-6-7-8-9-10-11-12-20-15(18)17(4,5)16(19)21-13-14(2)3/h14H,6-13H2,1-5H3

InChI Key

ACCBFIJWUGCASJ-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCC(C)C

Molecular Weight¹

300.44

• 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	[397.02; 914.60]	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			1.20980e+01
Coefficient B			1.64100e+00
Coefficient C			-8.86800e-04
Coefficient D			1.48300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.02	J/mol×K	273.00	Calculated Property
Cp,gas	488.22	J/mol×K	353.78	Calculated Property
Cp,gas	569.91	J/mol×K	434.56	Calculated Property
Cp,gas	642.55	J/mol×K	515.33	Calculated Property
Cp,gas	706.61	J/mol×K	596.11	Calculated Property
Cp,gas	762.55	J/mol×K	676.89	Calculated Property
Cp,gas	810.86	J/mol×K	757.67	Calculated Property
Cp,gas	851.99	J/mol×K	838.44	Calculated Property
Cp,gas	886.41	J/mol×K	919.22	Calculated Property
Cp,gas	914.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032753; 0.0000911]	Pa×s	[353.43; 616.14]	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			-1.41218e+01
Coefficient B			2.96896e+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.			353.43
Temperature range, max.			616.14
η	0.0032753	Pa×s	353.43	Calculated Property
η	0.0017256	Pa×s	382.62	Calculated Property
η	0.0009955	Pa×s	411.81	Calculated Property
η	0.0006178	Pa×s	441.00	Calculated Property
η	0.0004067	Pa×s	470.19	Calculated Property
η	0.0002812	Pa×s	499.38	Calculated Property
η	0.0002025	Pa×s	528.57	Calculated Property
η	0.0001509	Pa×s	557.76	Calculated Property
η	0.0001158	Pa×s	586.95	Calculated Property
η	0.0000911	Pa×s	616.14	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl octyl 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.