Chemical Properties of Benzene, 1-bromo-4-chloro-2-methyl- (CAS 14495-51-3)

InChI

InChI=1S/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

InChI Key

RTIPTGMVQIIMKL-UHFFFAOYSA-N

Formula

C7H6BrCl

SMILES

Cc1cc(Cl)ccc1Br

Molecular Weight¹

205.48

CAS

14495-51-3

Other Names

• 2-Bromo-5-chlorotoluene
• 6-Bromo-3-chlorotoluene
• Toluene, 2-bromo-5-chloro-

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[372.00; 372.20]	K	[3.30; 3.30]
Tboilr	372.20	K	3.30	NIST
Tboilr	372.00 ± 1.00	K	3.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.21; 273.20]	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			1.23000e+01
Coefficient B			5.15920e-01
Coefficient C			-3.45920e-04
Coefficient D			9.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.21	J/mol×K	273.00	Calculated Property
Cp,gas	155.55	J/mol×K	353.78	Calculated Property
Cp,gas	178.63	J/mol×K	434.56	Calculated Property
Cp,gas	198.75	J/mol×K	515.33	Calculated Property
Cp,gas	216.18	J/mol×K	596.11	Calculated Property
Cp,gas	231.22	J/mol×K	676.89	Calculated Property
Cp,gas	244.15	J/mol×K	757.67	Calculated Property
Cp,gas	255.27	J/mol×K	838.44	Calculated Property
Cp,gas	264.86	J/mol×K	919.22	Calculated Property
Cp,gas	273.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015976; 0.0002739]	Pa×s	[309.83; 518.81]	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			-1.08176e+01
Coefficient B			1.35656e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.83
Temperature range, max.			518.81
η	0.0015976	Pa×s	309.83	Calculated Property
η	0.0011773	Pa×s	333.05	Calculated Property
η	0.0009028	Pa×s	356.27	Calculated Property
η	0.0007152	Pa×s	379.49	Calculated Property
η	0.0005820	Pa×s	402.71	Calculated Property
η	0.0004843	Pa×s	425.93	Calculated Property
η	0.0004108	Pa×s	449.15	Calculated Property
η	0.0003541	Pa×s	472.37	Calculated Property
η	0.0003095	Pa×s	495.59	Calculated Property
η	0.0002739	Pa×s	518.81	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-4-chloro-2-methyl-.

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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