Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl pentyl ester

InChI

InChI=1S/C19H27ClO4/c1-5-8-9-12-23-17(21)19(6-2,7-3)18(22)24-16-13-14(4)10-11-15(16)20/h10-11,13H,5-9,12H2,1-4H3

InChI Key

HDMLRBKBZYBXEN-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

354.87

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[401.01; 900.91]	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			1.95460e+01
Coefficient B			1.63398e+00
Coefficient C			-9.09920e-04
Coefficient D			1.57300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.01	J/mol×K	273.00	Calculated Property
Cp,gas	490.69	J/mol×K	353.78	Calculated Property
Cp,gas	570.68	J/mol×K	434.56	Calculated Property
Cp,gas	641.47	J/mol×K	515.33	Calculated Property
Cp,gas	703.56	J/mol×K	596.11	Calculated Property
Cp,gas	757.45	J/mol×K	676.89	Calculated Property
Cp,gas	803.63	J/mol×K	757.67	Calculated Property
Cp,gas	842.60	J/mol×K	838.44	Calculated Property
Cp,gas	874.86	J/mol×K	919.22	Calculated Property
Cp,gas	900.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006182; 0.0000594]	Pa×s	[472.35; 719.41]	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			-1.42092e+01
Coefficient B			3.22168e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			472.35
Temperature range, max.			719.41
η	0.0006182	Pa×s	472.35	Calculated Property
η	0.0004250	Pa×s	499.80	Calculated Property
η	0.0003039	Pa×s	527.25	Calculated Property
η	0.0002246	Pa×s	554.70	Calculated Property
η	0.0001708	Pa×s	582.15	Calculated Property
η	0.0001331	Pa×s	609.60	Calculated Property
η	0.0001060	Pa×s	637.06	Calculated Property
η	0.0000860	Pa×s	664.51	Calculated Property
η	0.0000710	Pa×s	691.96	Calculated Property
η	0.0000594	Pa×s	719.41	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl pentyl 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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