Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl pentyl ester

InChI

InChI=1S/C19H24Cl2O5/c1-4-7-8-9-25-17(23)19(5-2,6-3)18(24)26-16-13(12-22)10-14(20)11-15(16)21/h10-12H,4-9H2,1-3H3

InChI Key

OLURWXBBXYZAQI-UHFFFAOYSA-N

Formula

C19H24Cl2O5

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

403.30

• 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	[421.88; 896.92]	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			5.81360e+01
Coefficient B			1.55576e+00
Coefficient C			-8.56280e-04
Coefficient D			1.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.88	J/mol×K	273.00	Calculated Property
Cp,gas	507.53	J/mol×K	353.78	Calculated Property
Cp,gas	583.93	J/mol×K	434.56	Calculated Property
Cp,gas	651.53	J/mol×K	515.33	Calculated Property
Cp,gas	710.77	J/mol×K	596.11	Calculated Property
Cp,gas	762.09	J/mol×K	676.89	Calculated Property
Cp,gas	805.92	J/mol×K	757.67	Calculated Property
Cp,gas	842.70	J/mol×K	838.44	Calculated Property
Cp,gas	872.89	J/mol×K	919.22	Calculated Property
Cp,gas	896.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003607; 0.0000553]	Pa×s	[556.79; 790.24]	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			-1.42753e+01
Coefficient B			3.53437e+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.			556.79
Temperature range, max.			790.24
η	0.0003607	Pa×s	556.79	Calculated Property
η	0.0002719	Pa×s	582.73	Calculated Property
η	0.0002100	Pa×s	608.67	Calculated Property
η	0.0001656	Pa×s	634.61	Calculated Property
η	0.0001331	Pa×s	660.54	Calculated Property
η	0.0001087	Pa×s	686.48	Calculated Property
η	0.0000901	Pa×s	712.42	Calculated Property
η	0.0000757	Pa×s	738.36	Calculated Property
η	0.0000644	Pa×s	764.30	Calculated Property
η	0.0000553	Pa×s	790.24	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.