Chemical Properties of Glutaric acid, naphth-2-ylmethyl 4-bromophenyl ester

InChI

InChI=1S/C22H19BrO4/c23-19-10-12-20(13-11-19)27-22(25)7-3-6-21(24)26-15-16-8-9-17-4-1-2-5-18(17)14-16/h1-2,4-5,8-14H,3,6-7,15H2

InChI Key

MOZGBRKTMIELML-UHFFFAOYSA-N

Formula

C22H19BrO4

SMILES

O=C(CCCC(=O)Oc1ccc(Br)cc1)OCc1ccc2ccccc2c1

Molecular Weight¹

427.29

• 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

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	[368.44; 845.70]	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			-2.87560e+01
Coefficient B			1.74190e+00
Coefficient C			-1.12024e-03
Coefficient D			2.52800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.44	J/mol×K	273.00	Calculated Property
Cp,gas	458.48	J/mol×K	353.78	Calculated Property
Cp,gas	537.40	J/mol×K	434.56	Calculated Property
Cp,gas	606.00	J/mol×K	515.33	Calculated Property
Cp,gas	665.08	J/mol×K	596.11	Calculated Property
Cp,gas	715.45	J/mol×K	676.89	Calculated Property
Cp,gas	757.89	J/mol×K	757.67	Calculated Property
Cp,gas	793.22	J/mol×K	838.44	Calculated Property
Cp,gas	822.22	J/mol×K	919.22	Calculated Property
Cp,gas	845.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004013; 0.0000824]	Pa×s	[592.74; 848.58]	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			-1.30725e+01
Coefficient B			3.11294e+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.			592.74
Temperature range, max.			848.58
η	0.0004013	Pa×s	592.74	Calculated Property
η	0.0003156	Pa×s	621.17	Calculated Property
η	0.0002534	Pa×s	649.59	Calculated Property
η	0.0002073	Pa×s	678.02	Calculated Property
η	0.0001723	Pa×s	706.45	Calculated Property
η	0.0001453	Pa×s	734.88	Calculated Property
η	0.0001241	Pa×s	763.30	Calculated Property
η	0.0001072	Pa×s	791.73	Calculated Property
η	0.0000936	Pa×s	820.16	Calculated Property
η	0.0000824	Pa×s	848.58	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 4-bromophenyl 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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