Chemical Properties of Benzene, 1-bromo-4-(chloromethyl)- (CAS 589-17-3)

InChI

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

InChI Key

BSIIGUGKOPPTPZ-UHFFFAOYSA-N

Formula

C7H6BrCl

SMILES

ClCc1ccc(Br)cc1

Molecular Weight¹

205.48

CAS

589-17-3

Other Names

• 1-bromo-4-(chloromethyl)benzene

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	113.23	kJ/mol	Joback Calculated Property
ΔfH°gas	47.84	kJ/mol	Joback Calculated Property
ΔfusH°	17.02	kJ/mol	Joback Calculated Property
ΔvapH°	44.93	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	3.188		Crippen Calculated Property
McVol	115.470	ml/mol	McGowan Calculated Property
Pc	4205.63	kPa	Joback Calculated Property
Tboil	511.00	K	NIST
Tc	734.55	K	Joback Calculated Property
Tfus	[314.90; 323.00]	K
Tfus	323.00	K	NIST
Tfus	314.90 ± 4.00	K	NIST
Vc	0.430	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.64; 243.74]	J/mol×K	[494.81; 734.55]
Cp,gas	195.64	J/mol×K	494.81	Joback Calculated Property
Cp,gas	205.32	J/mol×K	534.77	Joback Calculated Property
Cp,gas	214.28	J/mol×K	574.72	Joback Calculated Property
Cp,gas	222.55	J/mol×K	614.68	Joback Calculated Property
Cp,gas	230.19	J/mol×K	654.64	Joback Calculated Property
Cp,gas	237.24	J/mol×K	694.60	Joback Calculated Property
Cp,gas	243.74	J/mol×K	734.55	Joback Calculated Property
η	[0.0003139; 0.0020778]	Pa×s	[297.31; 494.81]
η	0.0020778	Pa×s	297.31	Joback Calculated Property
η	0.0012960	Pa×s	330.23	Joback Calculated Property
η	0.0008806	Pa×s	363.14	Joback Calculated Property
η	0.0006381	Pa×s	396.06	Joback Calculated Property
η	0.0004857	Pa×s	428.98	Joback Calculated Property
η	0.0003844	Pa×s	461.89	Joback Calculated Property
η	0.0003139	Pa×s	494.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-4-(chloromethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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