Chemical Properties of Benzene, 1-(bromomethyl)-3-chloro-

InChI

InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChI Key

LZIYAIRGDHSVED-UHFFFAOYSA-N

Formula

C7H6BrCl

SMILES

Clc1cccc(CBr)c1

Molecular Weight¹

205.48

Other Names

• «alpha»-Bromo-m-chlorotoluene
• 1-(Bromomethyl)-3-chlorobenzene
• m-Chlorobenzyl bromide
• 3-Chlorobenzyl bromide
• Toluene, «alpha»-bromo-m-chloro-
• «alpha»-Bromo-3-chlorotoluene

• 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).
• 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, 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	[382.20; 382.70]	K	[1.30; 1.60]
Tboilr	382.20	K	1.30	NIST
Tboilr	382.70	K	1.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.66; 276.24]	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			-1.99900e+00
Coefficient B			5.75400e-01
Coefficient C			-4.12960e-04
Coefficient D			1.15800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.66	J/mol×K	273.00	Calculated Property
Cp,gas	155.01	J/mol×K	353.78	Calculated Property
Cp,gas	179.56	J/mol×K	434.56	Calculated Property
Cp,gas	200.70	J/mol×K	515.33	Calculated Property
Cp,gas	218.79	J/mol×K	596.11	Calculated Property
Cp,gas	234.19	J/mol×K	676.89	Calculated Property
Cp,gas	247.27	J/mol×K	757.67	Calculated Property
Cp,gas	258.39	J/mol×K	838.44	Calculated Property
Cp,gas	267.93	J/mol×K	919.22	Calculated Property
Cp,gas	276.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020778; 0.0002817]	Pa×s	[297.31; 514.40]	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			-1.09116e+01
Coefficient B			1.40782e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			297.31
Temperature range, max.			514.40
η	0.0020778	Pa×s	297.31	Calculated Property
η	0.0014564	Pa×s	321.43	Calculated Property
η	0.0010728	Pa×s	345.55	Calculated Property
η	0.0008223	Pa×s	369.67	Calculated Property
η	0.0006513	Pa×s	393.79	Calculated Property
η	0.0005298	Pa×s	417.91	Calculated Property
η	0.0004409	Pa×s	442.03	Calculated Property
η	0.0003739	Pa×s	466.15	Calculated Property
η	0.0003223	Pa×s	490.27	Calculated Property
η	0.0002817	Pa×s	514.40	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(bromomethyl)-3-chloro-.

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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