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

InChI

InChI=1S/C20H20Cl2O5/c21-18(22)14-26-20(24)11-5-10-19(23)25-13-15-6-4-9-17(12-15)27-16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2

InChI Key

NXHURRGYZYMSAY-UHFFFAOYSA-N

Formula

C20H20Cl2O5

SMILES

O=C(CCCC(=O)OCC(Cl)Cl)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

411.28

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.05	kJ/mol	Joback Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	5.039		Crippen Calculated Property
McVol	290.370	ml/mol	McGowan Calculated Property
Inp	[3002.00; 3002.00]
Inp	3002.00		NIST
Inp	3002.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[843.87; 887.23]	J/mol×K	[928.82; 1157.86]
Cp,gas	843.87	J/mol×K	928.82	Joback Calculated Property
Cp,gas	854.69	J/mol×K	966.99	Joback Calculated Property
Cp,gas	864.03	J/mol×K	1005.17	Joback Calculated Property
Cp,gas	871.92	J/mol×K	1043.34	Joback Calculated Property
Cp,gas	878.40	J/mol×K	1081.51	Joback Calculated Property
Cp,gas	883.49	J/mol×K	1119.68	Joback Calculated Property
Cp,gas	887.23	J/mol×K	1157.86	Joback Calculated Property
η	[0.0000212; 0.0003494]	Pa×s	[532.25; 928.82]
η	0.0003494	Pa×s	532.25	Joback Calculated Property
η	0.0001693	Pa×s	598.35	Joback Calculated Property
η	0.0000947	Pa×s	664.44	Joback Calculated Property
η	0.0000589	Pa×s	730.53	Joback Calculated Property
η	0.0000396	Pa×s	796.63	Joback Calculated Property
η	0.0000283	Pa×s	862.72	Joback Calculated Property
η	0.0000212	Pa×s	928.82	Joback Calculated Property

Similar Compounds

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