Chemical Properties of 3-Chlorobenzal bromide (CAS 70288-97-0)

InChI

InChI=1S/C7H5Br2Cl/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

InChI Key

GXTJYNIKOLTVNC-UHFFFAOYSA-N

Formula

C7H5Br2Cl

SMILES

Clc1cccc(C(Br)Br)c1

Molecular Weight¹

284.38

CAS

70288-97-0

Other Names

• Benzene, 1-chloro-3-(dibromomethyl)-
• Toluene, m-chloro-alpha,alpha-dibromo-
• 1-chloro-3-(dibromomethyl)benzene

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.34; 285.85]	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			4.51000e+00
Coefficient B			6.19500e-01
Coefficient C			-4.87560e-04
Coefficient D			1.49400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.34	J/mol×K	273.00	Calculated Property
Cp,gas	169.27	J/mol×K	353.78	Calculated Property
Cp,gas	193.91	J/mol×K	434.56	Calculated Property
Cp,gas	214.72	J/mol×K	515.33	Calculated Property
Cp,gas	232.19	J/mol×K	596.11	Calculated Property
Cp,gas	246.79	J/mol×K	676.89	Calculated Property
Cp,gas	258.98	J/mol×K	757.67	Calculated Property
Cp,gas	269.24	J/mol×K	838.44	Calculated Property
Cp,gas	278.04	J/mol×K	919.22	Calculated Property
Cp,gas	285.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020692; 0.0002656]	Pa×s	[342.11; 575.80]	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			-1.12387e+01
Coefficient B			1.73042e+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.			342.11
Temperature range, max.			575.80
η	0.0020692	Pa×s	342.11	Calculated Property
η	0.0014482	Pa×s	368.08	Calculated Property
η	0.0010624	Pa×s	394.04	Calculated Property
η	0.0008098	Pa×s	420.01	Calculated Property
η	0.0006371	Pa×s	445.97	Calculated Property
η	0.0005146	Pa×s	471.94	Calculated Property
η	0.0004251	Pa×s	497.90	Calculated Property
η	0.0003578	Pa×s	523.87	Calculated Property
η	0.0003061	Pa×s	549.84	Calculated Property
η	0.0002656	Pa×s	575.80	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorobenzal bromide.

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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