Chemical Properties of Diethylmalonic acid, 2-methylhex-3-yl 2-octyl ester

InChI

InChI=1S/C22H42O4/c1-8-12-13-14-16-18(7)25-20(23)22(10-3,11-4)21(24)26-19(15-9-2)17(5)6/h17-19H,8-16H2,1-7H3

InChI Key

SKLZZNNKCAWMIF-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCC(C)OC(=O)C(CC)(CC)C(=O)OC(CCC)C(C)C

Molecular Weight¹

370.57

• 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

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	[502.46; 1173.63]	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			4.18900e+00
Coefficient B			2.12784e+00
Coefficient C			-1.16520e-03
Coefficient D			2.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.46	J/mol×K	273.00	Calculated Property
Cp,gas	620.29	J/mol×K	353.78	Calculated Property
Cp,gas	725.79	J/mol×K	434.56	Calculated Property
Cp,gas	819.60	J/mol×K	515.33	Calculated Property
Cp,gas	902.37	J/mol×K	596.11	Calculated Property
Cp,gas	974.77	J/mol×K	676.89	Calculated Property
Cp,gas	1037.44	J/mol×K	757.67	Calculated Property
Cp,gas	1091.03	J/mol×K	838.44	Calculated Property
Cp,gas	1136.21	J/mol×K	919.22	Calculated Property
Cp,gas	1173.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026891; 0.0000385]	Pa×s	[379.78; 701.58]	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			-1.51749e+01
Coefficient B			3.51540e+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.			379.78
Temperature range, max.			701.58
η	0.0026891	Pa×s	379.78	Calculated Property
η	0.0012126	Pa×s	415.54	Calculated Property
η	0.0006203	Pa×s	451.29	Calculated Property
η	0.0003501	Pa×s	487.05	Calculated Property
η	0.0002137	Pa×s	522.80	Calculated Property
η	0.0001390	Pa×s	558.56	Calculated Property
η	0.0000952	Pa×s	594.32	Calculated Property
η	0.0000680	Pa×s	630.07	Calculated Property
η	0.0000504	Pa×s	665.83	Calculated Property
η	0.0000385	Pa×s	701.58	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl 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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