Chemical Properties of 2-Naphthalenol, 6-bromo- (CAS 15231-91-1)

InChI

InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H

InChI Key

YLDFTMJPQJXGSS-UHFFFAOYSA-N

Formula

C10H7BrO

SMILES

Oc1ccc2cc(Br)ccc2c1

Molecular Weight¹

223.07

CAS

15231-91-1

Other Names

• 6-Bromo-«beta»-naphthol
• 6-Bromo-2-naphthol
• 2-Naphthol, 6-bromo-
• Bromo-6 naphtol-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[152.79; 354.38]	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			-5.79800e+01
Coefficient B			1.00450e+00
Coefficient C			-9.48840e-04
Coefficient D			3.56700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.79	J/mol×K	273.00	Calculated Property
Cp,gas	194.43	J/mol×K	353.78	Calculated Property
Cp,gas	228.62	J/mol×K	434.56	Calculated Property
Cp,gas	256.51	J/mol×K	515.33	Calculated Property
Cp,gas	279.20	J/mol×K	596.11	Calculated Property
Cp,gas	297.84	J/mol×K	676.89	Calculated Property
Cp,gas	313.55	J/mol×K	757.67	Calculated Property
Cp,gas	327.46	J/mol×K	838.44	Calculated Property
Cp,gas	340.69	J/mol×K	919.22	Calculated Property
Cp,gas	354.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006551; 0.0000597]	Pa×s	[445.62; 624.02]	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			-1.57105e+01
Coefficient B			3.73420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			445.62
Temperature range, max.			624.02
η	0.0006551	Pa×s	445.62	Calculated Property
η	0.0004585	Pa×s	465.44	Calculated Property
η	0.0003304	Pa×s	485.26	Calculated Property
η	0.0002442	Pa×s	505.09	Calculated Property
η	0.0001847	Pa×s	524.91	Calculated Property
η	0.0001426	Pa×s	544.73	Calculated Property
η	0.0001121	Pa×s	564.55	Calculated Property
η	0.0000896	Pa×s	584.37	Calculated Property
η	0.0000726	Pa×s	604.20	Calculated Property
η	0.0000597	Pa×s	624.02	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthalenol, 6-bromo-.

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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