Chemical Properties of Benzene, 1-(2-bromoethyl)-3-chloro- (CAS 16799-05-6)

InChI

InChI=1S/C8H8BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2

InChI Key

LKPWGXCMVLJRIK-UHFFFAOYSA-N

Formula

C8H8BrCl

SMILES

Clc1cccc(CCBr)c1

Molecular Weight¹

219.51

CAS

16799-05-6

Other Names

• 1-Bromo-2-(3-chlorophenyl)ethane

• 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	[147.88; 327.83]	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			-2.90800e+00
Coefficient B			6.70400e-01
Coefficient C			-4.67360e-04
Coefficient D			1.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.88	J/mol×K	273.00	Calculated Property
Cp,gas	181.42	J/mol×K	353.78	Calculated Property
Cp,gas	210.64	J/mol×K	434.56	Calculated Property
Cp,gas	235.93	J/mol×K	515.33	Calculated Property
Cp,gas	257.70	J/mol×K	596.11	Calculated Property
Cp,gas	276.35	J/mol×K	676.89	Calculated Property
Cp,gas	292.28	J/mol×K	757.67	Calculated Property
Cp,gas	305.90	J/mol×K	838.44	Calculated Property
Cp,gas	317.62	J/mol×K	919.22	Calculated Property
Cp,gas	327.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020762; 0.0002758]	Pa×s	[308.58; 527.26]	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			-1.10446e+01
Coefficient B			1.50198e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.58
Temperature range, max.			527.26
η	0.0020762	Pa×s	308.58	Calculated Property
η	0.0014554	Pa×s	332.88	Calculated Property
η	0.0010707	Pa×s	357.17	Calculated Property
η	0.0008191	Pa×s	381.47	Calculated Property
η	0.0006471	Pa×s	405.77	Calculated Property
η	0.0005250	Pa×s	430.07	Calculated Property
η	0.0004355	Pa×s	454.36	Calculated Property
η	0.0003683	Pa×s	478.66	Calculated Property
η	0.0003165	Pa×s	502.96	Calculated Property
η	0.0002758	Pa×s	527.26	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(2-bromoethyl)-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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