Chemical Properties of 1,4-Cyclohexadiene, 6-bromo

InChI

InChI=1S/C6H7Br/c7-6-4-2-1-3-5-6/h2-6H,1H2

InChI Key

KZXYAVCLVOWUHC-UHFFFAOYSA-N

Formula

C6H7Br

SMILES

BrC1C=CCC=C1

Molecular Weight¹

159.02

• 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	[95.68; 260.42]	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			-4.44200e+01
Coefficient B			6.22100e-01
Coefficient C			-4.29560e-04
Coefficient D			1.12300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.68	J/mol×K	273.00	Calculated Property
Cp,gas	126.87	J/mol×K	353.78	Calculated Property
Cp,gas	154.01	J/mol×K	434.56	Calculated Property
Cp,gas	177.46	J/mol×K	515.33	Calculated Property
Cp,gas	197.57	J/mol×K	596.11	Calculated Property
Cp,gas	214.69	J/mol×K	676.89	Calculated Property
Cp,gas	229.18	J/mol×K	757.67	Calculated Property
Cp,gas	241.39	J/mol×K	838.44	Calculated Property
Cp,gas	251.69	J/mol×K	919.22	Calculated Property
Cp,gas	260.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033740; 0.0002938]	Pa×s	[226.08; 456.63]	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			-1.05259e+01
Coefficient B			1.09293e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			226.08
Temperature range, max.			456.63
η	0.0033740	Pa×s	226.08	Calculated Property
η	0.0020628	Pa×s	251.70	Calculated Property
η	0.0013812	Pa×s	277.31	Calculated Property
η	0.0009897	Pa×s	302.93	Calculated Property
η	0.0007471	Pa×s	328.55	Calculated Property
η	0.0005873	Pa×s	354.16	Calculated Property
η	0.0004769	Pa×s	379.78	Calculated Property
η	0.0003976	Pa×s	405.40	Calculated Property
η	0.0003388	Pa×s	431.01	Calculated Property
η	0.0002938	Pa×s	456.63	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexadiene, 6-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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