Chemical Properties of Diethylmalonic acid, heptyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C20H27Cl3O4/c1-4-7-8-9-10-11-26-18(24)20(5-2,6-3)19(25)27-17-15(22)12-14(21)13-16(17)23/h12-13H,4-11H2,1-3H3

InChI Key

COWVAWHWMVYIQN-UHFFFAOYSA-N

Formula

C20H27Cl3O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

437.79

• 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).
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.39; 1010.21]	J/mol×K	[960.26; 1182.24]
Cp,gas	951.39	J/mol×K	960.26	Joback Calculated Property
Cp,gas	963.93	J/mol×K	997.26	Joback Calculated Property
Cp,gas	975.32	J/mol×K	1034.25	Joback Calculated Property
Cp,gas	985.60	J/mol×K	1071.25	Joback Calculated Property
Cp,gas	994.81	J/mol×K	1108.25	Joback Calculated Property
Cp,gas	1003.00	J/mol×K	1145.24	Joback Calculated Property
Cp,gas	1010.21	J/mol×K	1182.24	Joback Calculated Property
η	[0.0000270; 0.0002155]	Pa×s	[615.64; 960.26]
η	0.0002155	Pa×s	615.64	Joback Calculated Property
η	0.0001315	Pa×s	673.08	Joback Calculated Property
η	0.0000867	Pa×s	730.51	Joback Calculated Property
η	0.0000608	Pa×s	787.95	Joback Calculated Property
η	0.0000447	Pa×s	845.39	Joback Calculated Property
η	0.0000342	Pa×s	902.82	Joback Calculated Property
η	0.0000270	Pa×s	960.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 2,4,6-trichlorophenyl 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.