Chemical Properties of Bicyclo[3.3.0]octane, 2-bromo-6-(trichloromethyl)

InChI

InChI=1S/C9H12Br4/c10-8-4-2-5-6(8)1-3-7(5)9(11,12)13/h5-8H,1-4H2

InChI Key

IMPUYTHHLICXRH-UHFFFAOYSA-N

Formula

C9H12Br4

SMILES

BrC1CCC2C1CCC2C(Br)(Br)Br

Molecular Weight¹

439.81

• 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	[198.75; 497.75]	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			-9.58500e+01
Coefficient B			1.36700e+00
Coefficient C			-1.16000e-03
Coefficient D			3.86600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.75	J/mol×K	273.00	Calculated Property
Cp,gas	259.70	J/mol×K	353.78	Calculated Property
Cp,gas	310.86	J/mol×K	434.56	Calculated Property
Cp,gas	353.46	J/mol×K	515.33	Calculated Property
Cp,gas	388.72	J/mol×K	596.11	Calculated Property
Cp,gas	417.87	J/mol×K	676.89	Calculated Property
Cp,gas	442.12	J/mol×K	757.67	Calculated Property
Cp,gas	462.70	J/mol×K	838.44	Calculated Property
Cp,gas	480.84	J/mol×K	919.22	Calculated Property
Cp,gas	497.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025360; 0.0008960]	Pa×s	[453.17; 674.42]	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			-9.14865e+00
Coefficient B			1.43722e+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.			453.17
Temperature range, max.			674.42
η	0.0025360	Pa×s	453.17	Calculated Property
η	0.0021541	Pa×s	477.75	Calculated Property
η	0.0018592	Pa×s	502.34	Calculated Property
η	0.0016269	Pa×s	526.92	Calculated Property
η	0.0014407	Pa×s	551.50	Calculated Property
η	0.0012890	Pa×s	576.09	Calculated Property
η	0.0011639	Pa×s	600.67	Calculated Property
η	0.0010594	Pa×s	625.26	Calculated Property
η	0.0009712	Pa×s	649.84	Calculated Property
η	0.0008960	Pa×s	674.42	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.0]octane, 2-bromo-6-(trichloromethyl).

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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