Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H19Cl3O5/c1-12(2)26-16-6-3-4-7-17(16)27-18(24)8-5-9-19(25)28-20-14(22)10-13(21)11-15(20)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3

InChI Key

UEABWCZPIMGXFL-UHFFFAOYSA-N

Formula

C20H19Cl3O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

445.72

• 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°	53.08	kJ/mol	Joback Calculated Property
log10WS	-5.94		Relay (1.0) Calculated Property
logPoct/wat	6.115		Crippen Calculated Property
McVol	302.610	ml/mol	McGowan Calculated Property
Inp	[3029.00; 3029.00]
Inp	3029.00		NIST
Inp	3029.00		NIST
Tfus	355.94	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	[413.43; 862.00]	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			8.74030e+01
Coefficient B			1.36154e+00
Coefficient C			-6.22640e-04
Coefficient D			3.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.43	J/mol×K	273.00	Calculated Property
Cp,gas	492.74	J/mol×K	353.78	Calculated Property
Cp,gas	564.42	J/mol×K	434.56	Calculated Property
Cp,gas	628.58	J/mol×K	515.33	Calculated Property
Cp,gas	685.34	J/mol×K	596.11	Calculated Property
Cp,gas	734.81	J/mol×K	676.89	Calculated Property
Cp,gas	777.09	J/mol×K	757.67	Calculated Property
Cp,gas	812.31	J/mol×K	838.44	Calculated Property
Cp,gas	840.58	J/mol×K	919.22	Calculated Property
Cp,gas	862.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001842; 0.0000326]	Pa×s	[599.73; 851.66]	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			-1.44503e+01
Coefficient B			3.50875e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			599.73
Temperature range, max.			851.66
η	0.0001842	Pa×s	599.73	Calculated Property
η	0.0001419	Pa×s	627.72	Calculated Property
η	0.0001117	Pa×s	655.71	Calculated Property
η	0.0000898	Pa×s	683.71	Calculated Property
η	0.0000734	Pa×s	711.70	Calculated Property
η	0.0000609	Pa×s	739.69	Calculated Property
η	0.0000512	Pa×s	767.68	Calculated Property
η	0.0000436	Pa×s	795.68	Calculated Property
η	0.0000375	Pa×s	823.67	Calculated Property
η	0.0000326	Pa×s	851.66	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 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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