Chemical Properties of BICYCLO[4.2.0]OCTA-1,3,5-TRIENE, 7-BROMO-

InChI

InChI=1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2

InChI Key

AYNXHFRDABNHRX-UHFFFAOYSA-N

Formula

C8H7Br

SMILES

BrC1Cc2ccccc21

Molecular Weight¹

183.05

Other Names

• 1-bromobenzocyclobutene

• 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).
• IE : Ionization energy (eV).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[115.92; 297.52]	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			-6.09200e+01
Coefficient B			8.24100e-01
Coefficient C			-7.13560e-04
Coefficient D			2.47900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.92	J/mol×K	273.00	Calculated Property
Cp,gas	152.30	J/mol×K	353.78	Calculated Property
Cp,gas	182.79	J/mol×K	434.56	Calculated Property
Cp,gas	208.19	J/mol×K	515.33	Calculated Property
Cp,gas	229.28	J/mol×K	596.11	Calculated Property
Cp,gas	246.85	J/mol×K	676.89	Calculated Property
Cp,gas	261.67	J/mol×K	757.67	Calculated Property
Cp,gas	274.53	J/mol×K	838.44	Calculated Property
Cp,gas	286.22	J/mol×K	919.22	Calculated Property
Cp,gas	297.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014198; 0.0006283]	Pa×s	[300.12; 505.97]	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			-8.56125e+00
Coefficient B			6.01450e+02
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.			300.12
Temperature range, max.			505.97
η	0.0014198	Pa×s	300.12	Calculated Property
η	0.0012320	Pa×s	322.99	Calculated Property
η	0.0010892	Pa×s	345.87	Calculated Property
η	0.0009779	Pa×s	368.74	Calculated Property
η	0.0008890	Pa×s	391.61	Calculated Property
η	0.0008168	Pa×s	414.48	Calculated Property
η	0.0007571	Pa×s	437.36	Calculated Property
η	0.0007071	Pa×s	460.23	Calculated Property
η	0.0006646	Pa×s	483.10	Calculated Property
η	0.0006283	Pa×s	505.97	Calculated Property

Similar Compounds

Find more compounds similar to BICYCLO[4.2.0]OCTA-1,3,5-TRIENE, 7-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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