Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C15H18Cl2O6/c1-20-10-5-3-6-11(21-2)15(10)23-14(19)8-4-7-13(18)22-9-12(16)17/h3,5-6,12H,4,7-9H2,1-2H3

InChI Key

QFFCWRBUIPKUGD-UHFFFAOYSA-N

Formula

C15H18Cl2O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

365.21

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.85	kJ/mol	Joback Calculated Property
logPoct/wat	3.126		Crippen Calculated Property
McVol	249.550	ml/mol	McGowan Calculated Property
Inp	[2512.00; 2512.00]
Inp	2512.00		NIST
Inp	2512.00		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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.51; 738.88]	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			1.09864e+02
Coefficient B			1.01444e+00
Coefficient C			-3.22120e-04
Coefficient D			-6.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.51	J/mol×K	273.00	Calculated Property
Cp,gas	425.63	J/mol×K	353.78	Calculated Property
Cp,gas	484.67	J/mol×K	434.56	Calculated Property
Cp,gas	538.43	J/mol×K	515.33	Calculated Property
Cp,gas	586.71	J/mol×K	596.11	Calculated Property
Cp,gas	629.31	J/mol×K	676.89	Calculated Property
Cp,gas	666.02	J/mol×K	757.67	Calculated Property
Cp,gas	696.66	J/mol×K	838.44	Calculated Property
Cp,gas	721.01	J/mol×K	919.22	Calculated Property
Cp,gas	738.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004369; 0.0000563]	Pa×s	[484.23; 716.77]	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			-1.40505e+01
Coefficient B			3.05782e+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.			484.23
Temperature range, max.			716.77
η	0.0004369	Pa×s	484.23	Calculated Property
η	0.0003173	Pa×s	510.07	Calculated Property
η	0.0002377	Pa×s	535.91	Calculated Property
η	0.0001828	Pa×s	561.74	Calculated Property
η	0.0001439	Pa×s	587.58	Calculated Property
η	0.0001156	Pa×s	613.42	Calculated Property
η	0.0000945	Pa×s	639.26	Calculated Property
η	0.0000785	Pa×s	665.09	Calculated Property
η	0.0000661	Pa×s	690.93	Calculated Property
η	0.0000563	Pa×s	716.77	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,6-dimethoxyphenyl 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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