Chemical Properties of Diethylmalonic acid, di(8-chlorooctyl) ester

InChI

InChI=1S/C23H42Cl2O4/c1-3-23(4-2,21(26)28-19-15-11-7-5-9-13-17-24)22(27)29-20-16-12-8-6-10-14-18-25/h3-20H2,1-2H3

InChI Key

FMHWGGNEXKANLA-UHFFFAOYSA-N

Formula

C23H42Cl2O4

SMILES

CCC(CC)(C(=O)OCCCCCCCCCl)C(=O)OCCCCCCCCCl

Molecular Weight¹

453.48

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[551.42; 1240.15]	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			3.41080e+01
Coefficient B			2.21864e+00
Coefficient C			-1.25080e-03
Coefficient D			2.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	551.42	J/mol×K	273.00	Calculated Property
Cp,gas	673.01	J/mol×K	353.78	Calculated Property
Cp,gas	781.58	J/mol×K	434.56	Calculated Property
Cp,gas	877.87	J/mol×K	515.33	Calculated Property
Cp,gas	962.65	J/mol×K	596.11	Calculated Property
Cp,gas	1036.67	J/mol×K	676.89	Calculated Property
Cp,gas	1100.67	J/mol×K	757.67	Calculated Property
Cp,gas	1155.41	J/mol×K	838.44	Calculated Property
Cp,gas	1201.66	J/mol×K	919.22	Calculated Property
Cp,gas	1240.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004921; 0.0000287]	Pa×s	[495.89; 783.31]	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			-1.53580e+01
Coefficient B			3.83874e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			495.89
Temperature range, max.			783.31
η	0.0004921	Pa×s	495.89	Calculated Property
η	0.0003080	Pa×s	527.83	Calculated Property
η	0.0002034	Pa×s	559.76	Calculated Property
η	0.0001405	Pa×s	591.70	Calculated Property
η	0.0001008	Pa×s	623.63	Calculated Property
η	0.0000747	Pa×s	655.57	Calculated Property
η	0.0000569	Pa×s	687.50	Calculated Property
η	0.0000444	Pa×s	719.44	Calculated Property
η	0.0000354	Pa×s	751.37	Calculated Property
η	0.0000287	Pa×s	783.31	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(8-chlorooctyl) 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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