Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C16H20Cl2O5/c1-11(2)22-12-6-3-4-7-13(12)23-16(20)9-5-8-15(19)21-10-14(17)18/h3-4,6-7,11,14H,5,8-10H2,1-2H3

InChI Key

KRHBCQDDKAIZMB-UHFFFAOYSA-N

Formula

C16H20Cl2O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

363.23

• 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°	42.12	kJ/mol	Joback Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.896		Crippen Calculated Property
McVol	257.770	ml/mol	McGowan Calculated Property
Inp	[2384.00; 2384.00]
Inp	2384.00		NIST
Inp	2384.00		NIST
Tfus	331.81	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	[364.46; 775.55]	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			6.74740e+01
Coefficient B			1.23804e+00
Coefficient C			-5.57760e-04
Coefficient D			2.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.46	J/mol×K	273.00	Calculated Property
Cp,gas	436.89	J/mol×K	353.78	Calculated Property
Cp,gas	502.43	J/mol×K	434.56	Calculated Property
Cp,gas	561.16	J/mol×K	515.33	Calculated Property
Cp,gas	613.17	J/mol×K	596.11	Calculated Property
Cp,gas	658.56	J/mol×K	676.89	Calculated Property
Cp,gas	697.40	J/mol×K	757.67	Calculated Property
Cp,gas	729.79	J/mol×K	838.44	Calculated Property
Cp,gas	755.81	J/mol×K	919.22	Calculated Property
Cp,gas	775.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008253; 0.0000595]	Pa×s	[445.75; 714.12]	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			-1.40969e+01
Coefficient B			3.11897e+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.			445.75
Temperature range, max.			714.12
η	0.0008253	Pa×s	445.75	Calculated Property
η	0.0005322	Pa×s	475.57	Calculated Property
η	0.0003614	Pa×s	505.39	Calculated Property
η	0.0002562	Pa×s	535.21	Calculated Property
η	0.0001884	Pa×s	565.03	Calculated Property
η	0.0001429	Pa×s	594.85	Calculated Property
η	0.0001112	Pa×s	624.67	Calculated Property
η	0.0000886	Pa×s	654.49	Calculated Property
η	0.0000720	Pa×s	684.30	Calculated Property
η	0.0000595	Pa×s	714.12	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-isopropoxyphenyl 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

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