Chemical Properties of Benzene, 1-bromo-3-chloro- (CAS 108-37-2)

InChI

InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H

InChI Key

JRGGUPZKKTVKOV-UHFFFAOYSA-N

Formula

C6H4BrCl

SMILES

Clc1cccc(Br)c1

Molecular Weight¹

191.45

CAS

108-37-2

Other Names

• 1-Chloro-3-bromobenzene
• 1-bromo-3-chlorobenzene
• 3-Bromo-1-chlorobenzene
• 3-Chlorobromobenzene
• 3-Chlorophenyl bromide
• 3-bromochlorobenzene
• NSC 53548
• m-Bromophenyl chloride
• m-Chlorobromobenzene
• m-Chlorophenyl bromide
• m-bromochlorobenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ω	0.3049		Relay (1.0) Calculated Property
ΔfG°	104.81	kJ/mol	Joback Calculated Property
ΔfH°gas	87.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.43	kJ/mol	Joback Calculated Property
ΔvapH°	51.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	[-3.21; -3.21]
log10WS	-3.21		Aq. Solubility Prediction
log10WS	-3.21		Estimated Solubility
logPoct/wat	3.103		Crippen Calculated Property
McVol	101.380	ml/mol	McGowan Calculated Property
Pc	4782.59	kPa	Joback Calculated Property
Inp	[1179.00; 1179.00]
Inp	1179.00		NIST
Inp	1179.00		NIST
Tboil	[469.00; 469.20]	K
Tboil	469.20	K	NIST
Tboil	469.00	K	NIST
Tboil	469.00 ± 0.07	K	NIST
Tc	705.32	K	Relay (1.0) Calculated Property
Tfus	[251.40; 252.00]	K
Tfus	251.40	K	Aq. Solubility Prediction
Tfus	252.00	K	NIST
Tfus	251.67 ± 0.05	K	NIST
Tfus	252.00 ± 2.00	K	NIST
Tfus	251.95 ± 0.50	K	NIST
Tfus	251.95 ± 0.50	K	NIST
Vc	0.365	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.73; 197.26]	J/mol×K	[472.13; 716.48]
Cp,gas	156.73	J/mol×K	472.13	Joback Calculated Property
Cp,gas	164.99	J/mol×K	512.85	Joback Calculated Property
Cp,gas	172.59	J/mol×K	553.58	Joback Calculated Property
Cp,gas	179.58	J/mol×K	594.30	Joback Calculated Property
Cp,gas	185.99	J/mol×K	635.03	Joback Calculated Property
Cp,gas	191.87	J/mol×K	675.75	Joback Calculated Property
Cp,gas	197.26	J/mol×K	716.48	Joback Calculated Property
Cp,liquid	[168.00; 185.94]	J/mol×K	[260.00; 353.15]
Cp,liquid	168.00	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	170.00	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	170.00	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	171.00	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	171.14	J/mol×K	283.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	171.49	J/mol×K	285.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	171.84	J/mol×K	287.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	172.21	J/mol×K	289.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	172.59	J/mol×K	291.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	172.97	J/mol×K	293.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.36	J/mol×K	295.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.75	J/mol×K	297.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.90	J/mol×K	298.15	NIST
Cp,liquid	175.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	174.15	J/mol×K	299.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	175.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	174.56	J/mol×K	301.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	174.98	J/mol×K	303.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	175.40	J/mol×K	305.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	175.82	J/mol×K	307.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	176.25	J/mol×K	309.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	176.68	J/mol×K	311.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.12	J/mol×K	313.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.56	J/mol×K	315.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.00	J/mol×K	317.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.44	J/mol×K	319.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	178.89	J/mol×K	321.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.33	J/mol×K	323.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.78	J/mol×K	325.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.23	J/mol×K	327.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.68	J/mol×K	329.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	181.13	J/mol×K	331.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.58	J/mol×K	333.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.03	J/mol×K	335.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.47	J/mol×K	337.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.92	J/mol×K	339.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	183.36	J/mol×K	341.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	183.80	J/mol×K	343.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	184.24	J/mol×K	345.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	184.67	J/mol×K	347.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	185.10	J/mol×K	349.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	185.52	J/mol×K	351.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	185.94	J/mol×K	353.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
η	[0.0003351; 0.0020482]	Pa×s	[286.04; 472.13]
η	0.0020482	Pa×s	286.04	Joback Calculated Property
η	0.0013070	Pa×s	317.06	Joback Calculated Property
η	0.0009035	Pa×s	348.07	Joback Calculated Property
η	0.0006635	Pa×s	379.09	Joback Calculated Property
η	0.0005105	Pa×s	410.10	Joback Calculated Property
η	0.0004076	Pa×s	441.12	Joback Calculated Property
η	0.0003351	Pa×s	472.13	Joback Calculated Property
ΔfusH	[12.29; 12.29]	kJ/mol	[251.95; 252.00]
ΔfusH	12.29	kJ/mol	251.95	NIST
ΔfusH	12.29	kJ/mol	251.95	NIST
ΔfusH	12.29	kJ/mol	252.00	NIST
ΔvapH	52.20	kJ/mol	360.50	NIST
ΔfusS	[48.80; 48.80]	J/mol×K	[251.95; 251.95]
ΔfusS	48.80	J/mol×K	251.95	NIST
ΔfusS	48.80	J/mol×K	251.95	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.19; 202.64]	kPa	[308.00; 499.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49420e+01
Coefficient B			-4.39672e+03
Coefficient C			-4.32640e+01
Temperature range, min.			308.00
Temperature range, max.			499.80
Pvap	0.19	kPa	308.00	Calculated Property
Pvap	0.65	kPa	329.31	Calculated Property
Pvap	1.89	kPa	350.62	Calculated Property
Pvap	4.78	kPa	371.93	Calculated Property
Pvap	10.80	kPa	393.24	Calculated Property
Pvap	22.21	kPa	414.56	Calculated Property
Pvap	42.23	kPa	435.87	Calculated Property
Pvap	75.17	kPa	457.18	Calculated Property
Pvap	126.45	kPa	478.49	Calculated Property
Pvap	202.64	kPa	499.80	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-bromo-3-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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