Chemical Properties of Glutaric acid, 2,2-dichloroethyl 3-ethylphenyl ester

InChI

InChI=1S/C15H18Cl2O4/c1-2-11-5-3-6-12(9-11)21-15(19)8-4-7-14(18)20-10-13(16)17/h3,5-6,9,13H,2,4,7-8,10H2,1H3

InChI Key

IQDWMYHQTNGKEL-UHFFFAOYSA-N

Formula

C15H18Cl2O4

SMILES

CCc1cccc(OC(=O)CCCC(=O)OCC(Cl)Cl)c1

Molecular Weight¹

333.21

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.87	kJ/mol	Joback Calculated Property
logPoct/wat	3.672		Crippen Calculated Property
McVol	237.810	ml/mol	McGowan Calculated Property
Inp	[2295.00; 2295.00]
Inp	2295.00		NIST
Inp	2295.00		NIST
Tboil	625.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.14; 699.92]	J/mol×K	[765.32; 975.18]
Cp,gas	637.14	J/mol×K	765.32	Joback Calculated Property
Cp,gas	650.24	J/mol×K	800.30	Joback Calculated Property
Cp,gas	662.26	J/mol×K	835.27	Joback Calculated Property
Cp,gas	673.22	J/mol×K	870.25	Joback Calculated Property
Cp,gas	683.13	J/mol×K	905.22	Joback Calculated Property
Cp,gas	692.03	J/mol×K	940.20	Joback Calculated Property
Cp,gas	699.92	J/mol×K	975.18	Joback Calculated Property
η	[0.0000600; 0.0011606]	Pa×s	[427.25; 765.32]
η	0.0011606	Pa×s	427.25	Joback Calculated Property
η	0.0005314	Pa×s	483.59	Joback Calculated Property
η	0.0002864	Pa×s	539.94	Joback Calculated Property
η	0.0001734	Pa×s	596.28	Joback Calculated Property
η	0.0001146	Pa×s	652.63	Joback Calculated Property
η	0.0000808	Pa×s	708.97	Joback Calculated Property
η	0.0000600	Pa×s	765.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 3-ethylphenyl 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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