Chemical Properties of Fluoren-9-one, 3-bromo- (CAS 2041-19-2)

InChI

InChI=1S/C13H7BrO/c14-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(11)15/h1-7H

InChI Key

XWRAQISPRVFAQK-UHFFFAOYSA-N

Formula

C13H7BrO

SMILES

O=C1c2ccccc2-c2cc(Br)ccc21

Molecular Weight¹

259.10

CAS

2041-19-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of vaporization at standard conditions, 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	[178.83; 421.56]	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			-3.51600e+01
Coefficient B			9.69000e-01
Coefficient C			-7.40480e-04
Coefficient D			2.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.83	J/mol×K	273.00	Calculated Property
Cp,gas	225.08	J/mol×K	353.78	Calculated Property
Cp,gas	264.82	J/mol×K	434.56	Calculated Property
Cp,gas	298.78	J/mol×K	515.33	Calculated Property
Cp,gas	327.68	J/mol×K	596.11	Calculated Property
Cp,gas	352.25	J/mol×K	676.89	Calculated Property
Cp,gas	373.19	J/mol×K	757.67	Calculated Property
Cp,gas	391.25	J/mol×K	838.44	Calculated Property
Cp,gas	407.13	J/mol×K	919.22	Calculated Property
Cp,gas	421.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fluoren-9-one, 3-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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