Chemical Properties of Benzene, (2-bromo-1-methylethyl)- (CAS 1459-00-3)

InChI

InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChI Key

XJWVCWQKZQENDS-UHFFFAOYSA-N

Formula

C9H11Br

SMILES

CC(CBr)c1ccccc1

Molecular Weight¹

199.09

CAS

1459-00-3

Other Names

• Cumene, «beta»-bromo-
• «beta»-Bromoisopropylbenzene
• 1-Bromo-2-phenylpropane
• 2-Phenylpropyl bromide
• «beta»-Bromocumene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.82; 374.73]	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			-3.26890e+01
Coefficient B			8.24020e-01
Coefficient C			-5.71600e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.82	J/mol×K	273.00	Calculated Property
Cp,gas	194.15	J/mol×K	353.78	Calculated Property
Cp,gas	230.17	J/mol×K	434.56	Calculated Property
Cp,gas	261.37	J/mol×K	515.33	Calculated Property
Cp,gas	288.23	J/mol×K	596.11	Calculated Property
Cp,gas	311.26	J/mol×K	676.89	Calculated Property
Cp,gas	330.93	J/mol×K	757.67	Calculated Property
Cp,gas	347.74	J/mol×K	838.44	Calculated Property
Cp,gas	362.17	J/mol×K	919.22	Calculated Property
Cp,gas	374.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040622; 0.0002474]	Pa×s	[262.41; 509.61]	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			-1.12752e+01
Coefficient B			1.51390e+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.			262.41
Temperature range, max.			509.61
η	0.0040622	Pa×s	262.41	Calculated Property
η	0.0023516	Pa×s	289.88	Calculated Property
η	0.0014964	Pa×s	317.34	Calculated Property
η	0.0010233	Pa×s	344.81	Calculated Property
η	0.0007402	Pa×s	372.28	Calculated Property
η	0.0005597	Pa×s	399.74	Calculated Property
η	0.0004388	Pa×s	427.21	Calculated Property
η	0.0003542	Pa×s	454.67	Calculated Property
η	0.0002930	Pa×s	482.14	Calculated Property
η	0.0002474	Pa×s	509.61	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-bromo-1-methylethyl)-.

Sources

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

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