Chemical Properties of Bicyclo[6.1.0]nonane, 9,9-dibromo- (CAS 1196-95-8)

InChI

InChI=1S/C9H14Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h7-8H,1-6H2

InChI Key

UDZVXFNKFQAZEC-UHFFFAOYSA-N

Formula

C9H14Br2

SMILES

BrC1(Br)C2CCCCCCC21

Molecular Weight¹

282.01

CAS

1196-95-8

Other Names

• 9,9-Dibromobicyclo[6.1.0]nonane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	[161.16; 480.59]	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			-1.48810e+02
Coefficient B			1.47360e+00
Coefficient C			-1.38700e-03
Coefficient D			5.42800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.16	J/mol×K	273.00	Calculated Property
Cp,gas	222.96	J/mol×K	353.78	Calculated Property
Cp,gas	274.17	J/mol×K	434.56	Calculated Property
Cp,gas	316.53	J/mol×K	515.33	Calculated Property
Cp,gas	351.73	J/mol×K	596.11	Calculated Property
Cp,gas	381.50	J/mol×K	676.89	Calculated Property
Cp,gas	407.56	J/mol×K	757.67	Calculated Property
Cp,gas	431.61	J/mol×K	838.44	Calculated Property
Cp,gas	455.38	J/mol×K	919.22	Calculated Property
Cp,gas	480.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[6.1.0]nonane, 9,9-dibromo-.

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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