Chemical Properties of 7-Bromo-1,3,5-cyclooctatriene

InChI

InChI=1S/C8H9Br/c9-8-6-4-2-1-3-5-7-8/h1-6,8H,7H2/b2-1-,5-3-,6-4-

InChI Key

CJZXWYXQEJTDRN-XCADPSHZSA-N

Formula

C8H9Br

SMILES

BrC1\C=C/C=C\C=C/C1

Molecular Weight¹

185.06

• 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).
• 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	[121.85; 335.86]	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			-4.87000e+01
Coefficient B			7.36900e-01
Coefficient C			-4.32840e-04
Coefficient D			8.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.85	J/mol×K	273.00	Calculated Property
Cp,gas	161.39	J/mol×K	353.78	Calculated Property
Cp,gas	196.39	J/mol×K	434.56	Calculated Property
Cp,gas	227.12	J/mol×K	515.33	Calculated Property
Cp,gas	253.82	J/mol×K	596.11	Calculated Property
Cp,gas	276.75	J/mol×K	676.89	Calculated Property
Cp,gas	296.16	J/mol×K	757.67	Calculated Property
Cp,gas	312.32	J/mol×K	838.44	Calculated Property
Cp,gas	325.46	J/mol×K	919.22	Calculated Property
Cp,gas	335.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059430; 0.0001877]	Pa×s	[242.34; 504.22]	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			-1.17783e+01
Coefficient B			1.61223e+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.			242.34
Temperature range, max.			504.22
η	0.0059430	Pa×s	242.34	Calculated Property
η	0.0029126	Pa×s	271.44	Calculated Property
η	0.0016388	Pa×s	300.54	Calculated Property
η	0.0010207	Pa×s	329.63	Calculated Property
η	0.0006864	Pa×s	358.73	Calculated Property
η	0.0004899	Pa×s	387.83	Calculated Property
η	0.0003666	Pa×s	416.93	Calculated Property
η	0.0002848	Pa×s	446.02	Calculated Property
η	0.0002283	Pa×s	475.12	Calculated Property
η	0.0001877	Pa×s	504.22	Calculated Property

Similar Compounds

Find more compounds similar to 7-Bromo-1,3,5-cyclooctatriene.

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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