Chemical Properties of Glutaric acid, 8-chlorooctyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C20H28BrClO5/c1-25-18-15-16(21)11-12-17(18)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-22/h11-12,15H,2-10,13-14H2,1H3

InChI Key

JROSGHXZWPDSKV-UHFFFAOYSA-N

Formula

C20H28BrClO5

SMILES

COc1cc(Br)ccc1OC(=O)CCCC(=O)OCCCCCCCCCl

Molecular Weight¹

463.79

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[453.07; 978.60]	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			7.68010e+01
Coefficient B			1.57812e+00
Coefficient C			-7.52920e-04
Coefficient D			7.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	453.07	J/mol×K	273.00	Calculated Property
Cp,gas	544.26	J/mol×K	353.78	Calculated Property
Cp,gas	626.69	J/mol×K	434.56	Calculated Property
Cp,gas	700.59	J/mol×K	515.33	Calculated Property
Cp,gas	766.21	J/mol×K	596.11	Calculated Property
Cp,gas	823.80	J/mol×K	676.89	Calculated Property
Cp,gas	873.59	J/mol×K	757.67	Calculated Property
Cp,gas	915.82	J/mol×K	838.44	Calculated Property
Cp,gas	950.75	J/mol×K	919.22	Calculated Property
Cp,gas	978.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002416; 0.0000376]	Pa×s	[563.23; 805.51]	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			-1.45106e+01
Coefficient B			3.48217e+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.			563.23
Temperature range, max.			805.51
η	0.0002416	Pa×s	563.23	Calculated Property
η	0.0001823	Pa×s	590.15	Calculated Property
η	0.0001409	Pa×s	617.07	Calculated Property
η	0.0001113	Pa×s	643.99	Calculated Property
η	0.0000896	Pa×s	670.91	Calculated Property
η	0.0000733	Pa×s	697.83	Calculated Property
η	0.0000609	Pa×s	724.75	Calculated Property
η	0.0000513	Pa×s	751.67	Calculated Property
η	0.0000437	Pa×s	778.59	Calculated Property
η	0.0000376	Pa×s	805.51	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-bromo-2-methoxyphenyl 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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