Chemical Properties of Malonic acid, 2-methylpent-3-yl octyl ester

InChI

InChI=1S/C17H32O4/c1-5-7-8-9-10-11-12-20-16(18)13-17(19)21-15(6-2)14(3)4/h14-15H,5-13H2,1-4H3

InChI Key

DAQOYQHCBCWTKK-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCCCCCOC(=O)CC(=O)OC(CC)C(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).
• 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, Ionization energy 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	[398.16; 913.67]	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			3.48890e+01
Coefficient B			1.52108e+00
Coefficient C			-7.18200e-04
Coefficient D			7.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.16	J/mol×K	273.00	Calculated Property
Cp,gas	486.49	J/mol×K	353.78	Calculated Property
Cp,gas	566.49	J/mol×K	434.56	Calculated Property
Cp,gas	638.41	J/mol×K	515.33	Calculated Property
Cp,gas	702.49	J/mol×K	596.11	Calculated Property
Cp,gas	758.97	J/mol×K	676.89	Calculated Property
Cp,gas	808.08	J/mol×K	757.67	Calculated Property
Cp,gas	850.08	J/mol×K	838.44	Calculated Property
Cp,gas	885.20	J/mol×K	919.22	Calculated Property
Cp,gas	913.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041314; 0.0000982]	Pa×s	[336.01; 615.58]	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			-1.37218e+01
Coefficient B			2.76624e+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.			336.01
Temperature range, max.			615.58
η	0.0041314	Pa×s	336.01	Calculated Property
η	0.0020584	Pa×s	367.07	Calculated Property
η	0.0011433	Pa×s	398.14	Calculated Property
η	0.0006915	Pa×s	429.20	Calculated Property
η	0.0004476	Pa×s	460.27	Calculated Property
η	0.0003061	Pa×s	491.33	Calculated Property
η	0.0002190	Pa×s	522.39	Calculated Property
η	0.0001627	Pa×s	553.46	Calculated Property
η	0.0001247	Pa×s	584.52	Calculated Property
η	0.0000982	Pa×s	615.58	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2-methylpent-3-yl octyl ester.

Sources

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

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