Chemical Properties of Diethylmalonic acid, 2,4-dichlorophenyl pentyl ester

InChI

InChI=1S/C18H24Cl2O4/c1-4-7-8-11-23-16(21)18(5-2,6-3)17(22)24-15-10-9-13(19)12-14(15)20/h9-10,12H,4-8,11H2,1-3H3

InChI Key

GETYVQWQEJJYKC-UHFFFAOYSA-N

Formula

C18H24Cl2O4

SMILES

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

Molecular Weight¹

375.29

• 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°	45.36	kJ/mol	Joback Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	5.439		Crippen Calculated Property
McVol	280.080	ml/mol	McGowan Calculated Property
Inp	[2304.00; 2304.00]
Inp	2304.00		NIST
Inp	2304.00		NIST
Tboil	615.06	K	Relay (1.0) Calculated Property
Tfus	306.73	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	[803.70; 868.82]	J/mol×K	[836.15; 1047.19]
Cp,gas	803.70	J/mol×K	836.15	Joback Calculated Property
Cp,gas	817.34	J/mol×K	871.32	Joback Calculated Property
Cp,gas	829.81	J/mol×K	906.50	Joback Calculated Property
Cp,gas	841.15	J/mol×K	941.67	Joback Calculated Property
Cp,gas	851.41	J/mol×K	976.84	Joback Calculated Property
Cp,gas	860.62	J/mol×K	1012.01	Joback Calculated Property
Cp,gas	868.82	J/mol×K	1047.19	Joback Calculated Property
η	[0.0000335; 0.0005369]	Pa×s	[491.00; 836.15]
η	0.0005369	Pa×s	491.00	Joback Calculated Property
η	0.0002654	Pa×s	548.52	Joback Calculated Property
η	0.0001500	Pa×s	606.05	Joback Calculated Property
η	0.0000936	Pa×s	663.58	Joback Calculated Property
η	0.0000629	Pa×s	721.10	Joback Calculated Property
η	0.0000449	Pa×s	778.62	Joback Calculated Property
η	0.0000335	Pa×s	836.15	Joback Calculated Property

Similar Compounds

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