Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-methyl-4-chlorophenyl ester

InChI

InChI=1S/C14H15Cl3O4/c1-9-7-10(15)5-6-11(9)21-14(19)4-2-3-13(18)20-8-12(16)17/h5-7,12H,2-4,8H2,1H3

InChI Key

DDOATBNWISWWFT-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

Cc1cc(Cl)ccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

353.62

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.071		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Inp	[2426.00; 2426.00]
Inp	2426.00		NIST
Inp	2426.00		NIST
Tfus	323.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.89; 658.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.26640e+01
Coefficient B			1.05262e+00
Coefficient C			-5.10120e-04
Coefficient D			4.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.89	J/mol×K	273.00	Calculated Property
Cp,gas	383.13	J/mol×K	353.78	Calculated Property
Cp,gas	437.32	J/mol×K	434.56	Calculated Property
Cp,gas	485.58	J/mol×K	515.33	Calculated Property
Cp,gas	528.07	J/mol×K	596.11	Calculated Property
Cp,gas	564.90	J/mol×K	676.89	Calculated Property
Cp,gas	596.24	J/mol×K	757.67	Calculated Property
Cp,gas	622.20	J/mol×K	838.44	Calculated Property
Cp,gas	642.93	J/mol×K	919.22	Calculated Property
Cp,gas	658.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008253; 0.0000932]	Pa×s	[458.42; 700.78]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.34058e+01
Coefficient B			2.89080e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			458.42
Temperature range, max.			700.78
η	0.0008253	Pa×s	458.42	Calculated Property
η	0.0005817	Pa×s	485.35	Calculated Property
η	0.0004253	Pa×s	512.28	Calculated Property
η	0.0003208	Pa×s	539.21	Calculated Property
η	0.0002486	Pa×s	566.14	Calculated Property
η	0.0001972	Pa×s	593.07	Calculated Property
η	0.0001596	Pa×s	620.00	Calculated Property
η	0.0001314	Pa×s	646.92	Calculated Property
η	0.0001099	Pa×s	673.85	Calculated Property
η	0.0000932	Pa×s	700.78	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-methyl-4-chlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.