Chemical Properties of 1,4-Cyclohexadiene, 1-bromo

InChI

InChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h1-2,5H,3-4H2

InChI Key

HBPTXOABIPHZOS-UHFFFAOYSA-N

Formula

C6H7Br

SMILES

BrC1=CCC=CC1

Molecular Weight¹

159.03

• 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.
• 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, 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	[95.97; 250.72]	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			-3.60600e+01
Coefficient B			5.89100e-01
Coefficient C			-4.17920e-04
Coefficient D			1.15600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.97	J/mol×K	273.00	Calculated Property
Cp,gas	125.16	J/mol×K	353.78	Calculated Property
Cp,gas	150.50	J/mol×K	434.56	Calculated Property
Cp,gas	172.36	J/mol×K	515.33	Calculated Property
Cp,gas	191.09	J/mol×K	596.11	Calculated Property
Cp,gas	207.06	J/mol×K	676.89	Calculated Property
Cp,gas	220.65	J/mol×K	757.67	Calculated Property
Cp,gas	232.21	J/mol×K	838.44	Calculated Property
Cp,gas	242.11	J/mol×K	919.22	Calculated Property
Cp,gas	250.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035125; 0.0002783]	Pa×s	[242.84; 464.78]	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			-1.09609e+01
Coefficient B			1.28936e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			242.84
Temperature range, max.			464.78
η	0.0035125	Pa×s	242.84	Calculated Property
η	0.0021530	Pa×s	267.50	Calculated Property
η	0.0014334	Pa×s	292.16	Calculated Property
η	0.0010166	Pa×s	316.82	Calculated Property
η	0.0007578	Pa×s	341.48	Calculated Property
η	0.0005876	Pa×s	366.14	Calculated Property
η	0.0004705	Pa×s	390.80	Calculated Property
η	0.0003868	Pa×s	415.46	Calculated Property
η	0.0003251	Pa×s	440.12	Calculated Property
η	0.0002783	Pa×s	464.78	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene, 1-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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