Chemical Properties of Benzene, 1-bromo-3-ethenyl- (CAS 2039-86-3)

InChI

InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2

InChI Key

KQJQPCJDKBKSLV-UHFFFAOYSA-N

Formula

C8H7Br

SMILES

C=Cc1cccc(Br)c1

Molecular Weight¹

183.04

CAS

2039-86-3

Other Names

• 3-Bromostyrene
• m-Bromostyrene
• 3-BrC6H4CH=CH2

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[347.70; 365.20]	K	[0.40; 2.70]
Tboilr	347.70	K	0.40	NIST
Tboilr	365.20	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.66; 291.05]	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			-1.87900e+01
Coefficient B			6.43600e-01
Coefficient C			-4.69860e-04
Coefficient D			1.36100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.66	J/mol×K	273.00	Calculated Property
Cp,gas	156.12	J/mol×K	353.78	Calculated Property
Cp,gas	183.33	J/mol×K	434.56	Calculated Property
Cp,gas	206.72	J/mol×K	515.33	Calculated Property
Cp,gas	226.73	J/mol×K	596.11	Calculated Property
Cp,gas	243.79	J/mol×K	676.89	Calculated Property
Cp,gas	258.31	J/mol×K	757.67	Calculated Property
Cp,gas	270.75	J/mol×K	838.44	Calculated Property
Cp,gas	281.51	J/mol×K	919.22	Calculated Property
Cp,gas	291.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019793; 0.0002592]	Pa×s	[276.90; 498.76]	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			-1.07953e+01
Coefficient B			1.26550e+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.			276.90
Temperature range, max.			498.76
η	0.0019793	Pa×s	276.90	Calculated Property
η	0.0013623	Pa×s	301.55	Calculated Property
η	0.0009920	Pa×s	326.20	Calculated Property
η	0.0007553	Pa×s	350.85	Calculated Property
η	0.0005961	Pa×s	375.50	Calculated Property
η	0.0004843	Pa×s	400.16	Calculated Property
η	0.0004031	Pa×s	424.81	Calculated Property
η	0.0003424	Pa×s	449.46	Calculated Property
η	0.0002957	Pa×s	474.11	Calculated Property
η	0.0002592	Pa×s	498.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-3-ethenyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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