Chemical Properties of Diethylmalonic acid, monochloride, 2-octyl ester

InChI

InChI=1S/C15H27ClO3/c1-5-8-9-10-11-12(4)19-14(18)15(6-2,7-3)13(16)17/h12H,5-11H2,1-4H3

InChI Key

UJURCJPVEKCCCH-UHFFFAOYSA-N

Formula

C15H27ClO3

SMILES

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

Molecular Weight¹

290.83

• 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).
• IE : Ionization energy (eV).
• 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, 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	[352.58; 800.60]	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			8.75700e+00
Coefficient B			1.48458e+00
Coefficient C			-8.74300e-04
Coefficient D			1.81560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.58	J/mol×K	273.00	Calculated Property
Cp,gas	432.58	J/mol×K	353.78	Calculated Property
Cp,gas	503.69	J/mol×K	434.56	Calculated Property
Cp,gas	566.47	J/mol×K	515.33	Calculated Property
Cp,gas	621.51	J/mol×K	596.11	Calculated Property
Cp,gas	669.38	J/mol×K	676.89	Calculated Property
Cp,gas	710.64	J/mol×K	757.67	Calculated Property
Cp,gas	745.89	J/mol×K	838.44	Calculated Property
Cp,gas	775.68	J/mol×K	919.22	Calculated Property
Cp,gas	800.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029940; 0.0001431]	Pa×s	[368.41; 612.92]	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			-1.34343e+01
Coefficient B			2.80843e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			368.41
Temperature range, max.			612.92
η	0.0029940	Pa×s	368.41	Calculated Property
η	0.0017737	Pa×s	395.58	Calculated Property
η	0.0011239	Pa×s	422.74	Calculated Property
η	0.0007525	Pa×s	449.91	Calculated Property
η	0.0005274	Pa×s	477.08	Calculated Property
η	0.0003841	Pa×s	504.25	Calculated Property
η	0.0002889	Pa×s	531.41	Calculated Property
η	0.0002234	Pa×s	558.58	Calculated Property
η	0.0001769	Pa×s	585.75	Calculated Property
η	0.0001431	Pa×s	612.92	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 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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