Chemical Properties of Benzene, 1-bromo-2,4,5-trimethyl-

InChI

InChI=1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3

InChI Key

SCZXFZRJDVZMJI-UHFFFAOYSA-N

Formula

C9H11Br

SMILES

Cc1cc(C)c(Br)cc1C

Molecular Weight¹

199.09

Other Names

• 5-Bromopseudocumene
• 2,4,5-Trimethylbromobenzene
• 5-Bromo-1,2,4-trimethylbenzene

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions 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	[160.79; 365.07]	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			1.18900e+01
Coefficient B			6.39660e-01
Coefficient C			-3.67280e-04
Coefficient D			8.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.79	J/mol×K	273.00	Calculated Property
Cp,gas	195.80	J/mol×K	353.78	Calculated Property
Cp,gas	227.13	J/mol×K	434.56	Calculated Property
Cp,gas	255.05	J/mol×K	515.33	Calculated Property
Cp,gas	279.80	J/mol×K	596.11	Calculated Property
Cp,gas	301.65	J/mol×K	676.89	Calculated Property
Cp,gas	320.84	J/mol×K	757.67	Calculated Property
Cp,gas	337.64	J/mol×K	838.44	Calculated Property
Cp,gas	352.30	J/mol×K	919.22	Calculated Property
Cp,gas	365.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012798; 0.0002454]	Pa×s	[314.97; 519.25]	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			-1.08592e+01
Coefficient B			1.32230e+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.			314.97
Temperature range, max.			519.25
η	0.0012798	Pa×s	314.97	Calculated Property
η	0.0009651	Pa×s	337.67	Calculated Property
η	0.0007542	Pa×s	360.36	Calculated Property
η	0.0006068	Pa×s	383.06	Calculated Property
η	0.0005002	Pa×s	405.76	Calculated Property
η	0.0004209	Pa×s	428.46	Calculated Property
η	0.0003604	Pa×s	451.15	Calculated Property
η	0.0003132	Pa×s	473.85	Calculated Property
η	0.0002757	Pa×s	496.55	Calculated Property
η	0.0002454	Pa×s	519.25	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-2,4,5-trimethyl-.

Sources

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

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