Chemical Properties of Benzene, 1-bromo-2-(1-methylethyl)-

InChI

InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

InChI Key

LECYCYNAEJDSIL-UHFFFAOYSA-N

Formula

C9H11Br

SMILES

CC(C)c1ccccc1Br

Molecular Weight¹

199.09

Other Names

• Cumene, o-bromo-
• o-Bromocumene
• o-Isopropylphenyl bromide
• 1-Bromo-2-isopropylbenzene
• 2-Bromoisopropylbenzene
• 2-Isopropylbromobenzene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[48.40; 49.80]	kJ/mol	[444.00; 453.00]
ΔvapH	48.40	kJ/mol	444.00	NIST
ΔvapH	49.80	kJ/mol	453.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.37; 371.69]	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			-1.83900e+01
Coefficient B			7.64540e-01
Coefficient C			-5.04560e-04
Coefficient D			1.30100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.37	J/mol×K	273.00	Calculated Property
Cp,gas	194.70	J/mol×K	353.78	Calculated Property
Cp,gas	229.24	J/mol×K	434.56	Calculated Property
Cp,gas	259.41	J/mol×K	515.33	Calculated Property
Cp,gas	285.62	J/mol×K	596.11	Calculated Property
Cp,gas	308.29	J/mol×K	676.89	Calculated Property
Cp,gas	327.82	J/mol×K	757.67	Calculated Property
Cp,gas	344.62	J/mol×K	838.44	Calculated Property
Cp,gas	359.10	J/mol×K	919.22	Calculated Property
Cp,gas	371.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0128495; 0.0002398]	Pa×s	[214.25; 513.99]	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			-1.11812e+01
Coefficient B			1.46264e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			214.25
Temperature range, max.			513.99
η	0.0128495	Pa×s	214.25	Calculated Property
η	0.0051288	Pa×s	247.55	Calculated Property
η	0.0025453	Pa×s	280.86	Calculated Property
η	0.0014655	Pa×s	314.16	Calculated Property
η	0.0009379	Pa×s	347.47	Calculated Property
η	0.0006490	Pa×s	380.77	Calculated Property
η	0.0004765	Pa×s	414.08	Calculated Property
η	0.0003664	Pa×s	447.38	Calculated Property
η	0.0002921	Pa×s	480.69	Calculated Property
η	0.0002398	Pa×s	513.99	Calculated Property

Similar Compounds

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

Sources

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

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