Chemical Properties of Diethylmalonic acid, di(2,4-dichlorophenyl) ester

InChI

InChI=1S/C19H16Cl4O4/c1-3-19(4-2,17(24)26-15-7-5-11(20)9-13(15)22)18(25)27-16-8-6-12(21)10-14(16)23/h5-10H,3-4H2,1-2H3

InChI Key

CZSSAJXJLWZZTC-UHFFFAOYSA-N

Formula

C19H16Cl4O4

SMILES

CCC(CC)(C(=O)Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

450.14

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	49.60	kJ/mol	Joback Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	294.890	ml/mol	McGowan Calculated Property
Inp	[2911.00; 2911.00]
Inp	2911.00		NIST
Inp	2911.00		NIST
Tboil	648.62	K	Relay (1.0) Calculated Property
Tfus	366.35	K	Relay (1.0) Calculated Property

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 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	[794.88; 827.80]	J/mol×K	[970.53; 1215.98]
Cp,gas	794.88	J/mol×K	970.53	Joback Calculated Property
Cp,gas	803.35	J/mol×K	1011.44	Joback Calculated Property
Cp,gas	810.54	J/mol×K	1052.35	Joback Calculated Property
Cp,gas	816.51	J/mol×K	1093.25	Joback Calculated Property
Cp,gas	821.34	J/mol×K	1134.16	Joback Calculated Property
Cp,gas	825.08	J/mol×K	1175.07	Joback Calculated Property
Cp,gas	827.80	J/mol×K	1215.98	Joback Calculated Property
η	[0.0000210; 0.0001890]	Pa×s	[613.57; 970.53]
η	0.0001890	Pa×s	613.57	Joback Calculated Property
η	0.0001115	Pa×s	673.06	Joback Calculated Property
η	0.0000716	Pa×s	732.56	Joback Calculated Property
η	0.0000492	Pa×s	792.05	Joback Calculated Property
η	0.0000356	Pa×s	851.54	Joback Calculated Property
η	0.0000269	Pa×s	911.04	Joback Calculated Property
η	0.0000210	Pa×s	970.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,4-dichlorophenyl) 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.
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