Chemical Properties of Dimethylmalonic acid, isobutyl 2-octyl ester

InChI

InChI=1S/C17H32O4/c1-7-8-9-10-11-14(4)21-16(19)17(5,6)15(18)20-12-13(2)3/h13-14H,7-12H2,1-6H3

InChI Key

XVIBIEWAYFXDRE-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCCCC(C)OC(=O)C(C)(C)C(=O)OCC(C)C

Molecular Weight¹

300.43

• 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).
• 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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[396.70; 915.14]	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			1.04160e+01
Coefficient B			1.64692e+00
Coefficient C			-8.90000e-04
Coefficient D			1.47800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.70	J/mol×K	273.00	Calculated Property
Cp,gas	488.21	J/mol×K	353.78	Calculated Property
Cp,gas	570.16	J/mol×K	434.56	Calculated Property
Cp,gas	643.00	J/mol×K	515.33	Calculated Property
Cp,gas	707.21	J/mol×K	596.11	Calculated Property
Cp,gas	763.26	J/mol×K	676.89	Calculated Property
Cp,gas	811.60	J/mol×K	757.67	Calculated Property
Cp,gas	852.72	J/mol×K	838.44	Calculated Property
Cp,gas	887.08	J/mol×K	919.22	Calculated Property
Cp,gas	915.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046483; 0.0000839]	Pa×s	[338.43; 617.40]	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			-1.42558e+01
Coefficient B			3.00678e+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.			338.43
Temperature range, max.			617.40
η	0.0046483	Pa×s	338.43	Calculated Property
η	0.0022057	Pa×s	369.43	Calculated Property
η	0.0011747	Pa×s	400.42	Calculated Property
η	0.0006849	Pa×s	431.42	Calculated Property
η	0.0004293	Pa×s	462.41	Calculated Property
η	0.0002853	Pa×s	493.41	Calculated Property
η	0.0001990	Pa×s	524.41	Calculated Property
η	0.0001445	Pa×s	555.40	Calculated Property
η	0.0001086	Pa×s	586.40	Calculated Property
η	0.0000839	Pa×s	617.40	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl 2-octyl 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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