Chemical Properties of Methane, bromochloro- (CAS 74-97-5)

InChI

InChI=1S/CH2BrCl/c2-1-3/h1H2

InChI Key

JPOXNPPZZKNXOV-UHFFFAOYSA-N

Formula

CH2BrCl

SMILES

ClCBr

Molecular Weight¹

129.38

CAS

74-97-5

Other Names

• Bromochloromethane
• Bromochloromethane [R30B1]
• CBM
• CH2ClBr
• Chlorobromomethane
• Fluorocarbon 1011
• Halon 1011
• MIL-B-4394-B
• Methylene bromide chloride
• Methylene chlorobromide
• Monochloromonobromomethane
• NSC 7294
• REFRIGERANT-30B1
• UN 1887

• ω : Acentric Factor.
• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.1930		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG°	-40.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.70 ± 5.50	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfusH°	7.83	kJ/mol	Joback Calculated Property
ΔvapH°	33.20	kJ/mol	Relay (1.0) Calculated Property
IE	[10.75; 10.77]	eV
IE	10.77 ± 0.01	eV	NIST
IE	10.77	eV	NIST
IE	10.77 ± 0.01	eV	NIST
IE	10.75 ± 0.05	eV	NIST
log10WS	[-0.89; -0.89]
log10WS	-0.89		Aq. Solubility Prediction
log10WS	-0.89		Estimated Solubility
logPoct/wat	1.578		Crippen Calculated Property
McVol	54.690	ml/mol	McGowan Calculated Property
Pc	6180.82	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[569.00; 617.00]
Inp	607.00		NIST
Inp	611.00		NIST
Inp	602.00		NIST
Inp	569.00		NIST
Inp	575.00		NIST
Inp	578.00		NIST
Inp	582.00		NIST
Inp	617.00		NIST
Inp	598.00		NIST
Inp	598.00		NIST
Inp	598.00		NIST
Inp	607.00		NIST
Inp	578.00		NIST
Ip	[1054.00; 1066.29]
Ip	1064.58		NIST
Ip	1066.29		NIST
Ip	1057.80		NIST
Ip	1054.00		NIST
Ip	1060.00		NIST
Ip	1054.00		NIST
Tboil	[341.00; 342.00]	K
Tboil	341.00	K	NIST
Tboil	342.00	K	NIST
Tc	558.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[185.15; 185.20]	K
Tfus	185.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	185.18	K	Aq. Solubility Prediction
Tfus	185.20 ± 0.05	K	NIST
Vc	0.207	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[33.50; 42.00]	kJ/mol	[283.50; 315.00]
ΔvapH	42.00	kJ/mol	283.50	NIST
ΔvapH	33.50	kJ/mol	315.00	NIST
Pvap	37.28	kPa	313.15	Isothermal Vapor-Liquid Equilibria of ethyl acetate + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or +1-bromo-2-chloroethane at T = 313.15 K
ρl	[1921.71; 1924.55]	kg/m3	[298.15; 298.15]
ρl	1921.71	kg/m3	298.15	Vapour liquid equilibrium at T = 308.15 K for binary systems: Dibromomethane + n-heptane, bromotrichloromethane + n-heptane, bromotrichloromethane + dibromomethane, bromotrichloromethane + bromochloromethane and dibromomethane + bromochloromethane. Experimental data and modelling
ρl	1924.55	kg/m3	298.15	(Vapor + liquid) equilibria for the binary mixtures (1-propanol + dibromomethane, or + bromochloromethane, or + 1,2-dichloroethane or +1-bromo-2-chloroethane) at T = 313.15 K.
csound,fluid	[940.80; 1001.20]	m/s	[293.15; 313.15]
csound,fluid	1001.20	m/s	293.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	986.10	m/s	298.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	971.00	m/s	303.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	955.90	m/s	308.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	940.80	m/s	313.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[54.09; 88.26]	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			2.30610e+01
Coefficient B			1.43800e-01
Coefficient C			-1.22400e-04
Coefficient D			4.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	54.09	J/mol×K	273.00	Calculated Property
Cp,gas	60.55	J/mol×K	353.78	Calculated Property
Cp,gas	66.03	J/mol×K	434.56	Calculated Property
Cp,gas	70.65	J/mol×K	515.33	Calculated Property
Cp,gas	74.57	J/mol×K	596.11	Calculated Property
Cp,gas	77.90	J/mol×K	676.89	Calculated Property
Cp,gas	80.80	J/mol×K	757.67	Calculated Property
Cp,gas	83.40	J/mol×K	838.44	Calculated Property
Cp,gas	85.84	J/mol×K	919.22	Calculated Property
Cp,gas	88.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032076; 0.0002783]	Pa×s	[185.18; 390.60]	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			-1.03902e+01
Coefficient B			8.60700e+02
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.			185.18
Temperature range, max.			390.60
η	0.0032076	Pa×s	185.18	Calculated Property
η	0.0019261	Pa×s	208.00	Calculated Property
η	0.0012793	Pa×s	230.83	Calculated Property
η	0.0009146	Pa×s	253.65	Calculated Property
η	0.0006912	Pa×s	276.48	Calculated Property
η	0.0005451	Pa×s	299.30	Calculated Property
η	0.0004446	Pa×s	322.13	Calculated Property
η	0.0003726	Pa×s	344.95	Calculated Property
η	0.0003191	Pa×s	367.78	Calculated Property
η	0.0002783	Pa×s	390.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[249.72; 363.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48065e+01
Coefficient B			-3.12475e+03
Coefficient C			-3.44960e+01
Temperature range, min.			249.72
Temperature range, max.			363.59
Pvap	1.33	kPa	249.72	Calculated Property
Pvap	2.99	kPa	262.37	Calculated Property
Pvap	6.14	kPa	275.02	Calculated Property
Pvap	11.76	kPa	287.68	Calculated Property
Pvap	21.16	kPa	300.33	Calculated Property
Pvap	36.09	kPa	312.98	Calculated Property
Pvap	58.77	kPa	325.63	Calculated Property
Pvap	91.89	kPa	338.29	Calculated Property
Pvap	138.64	kPa	350.94	Calculated Property
Pvap	202.65	kPa	363.59	Calculated Property
Pvap	[2.57e-03; 6774.22]	kPa	[185.20; 557.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.51479e+01
Coefficient B			-5.95434e+03
Coefficient C			-7.49956e+00
Coefficient D			5.73549e-06
Coefficient E			0.00000e+00
Temperature range, min.			185.20
Temperature range, max.			557.00
Pvap	2.57e-03	kPa	185.20	Calculated Property
Pvap	0.22	kPa	226.51	Calculated Property
Pvap	4.06	kPa	267.82	Calculated Property
Pvap	31.00	kPa	309.13	Calculated Property
Pvap	137.01	kPa	350.44	Calculated Property
Pvap	424.91	kPa	391.76	Calculated Property
Pvap	1038.30	kPa	433.07	Calculated Property
Pvap	2152.52	kPa	474.38	Calculated Property
Pvap	3977.00	kPa	515.69	Calculated Property
Pvap	6774.22	kPa	557.00	Calculated Property
Pvap	[0.14; 100.60]	kPa	[226.60; 341.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.27120e+01
Coefficient B			-2.06209e+03
Coefficient C			-8.64470e+01
Reference			McDonald, Shrader, et al., 1959, 2
Temperature range, min.			226.60
Temperature range, max.			341.00
Pvap	0.14	kPa	226.60	Calculated Property
Pvap	0.46	kPa	239.31	Calculated Property
Pvap	1.29	kPa	252.02	Calculated Property
Pvap	3.15	kPa	264.73	Calculated Property
Pvap	6.79	kPa	277.44	Calculated Property
Pvap	13.32	kPa	290.16	Calculated Property
Pvap	24.14	kPa	302.87	Calculated Property
Pvap	40.95	kPa	315.58	Calculated Property
Pvap	65.72	kPa	328.29	Calculated Property
Pvap	100.60	kPa	341.00	Calculated Property
Pvap	[0.14; 100.60]	kPa	[226.60; 341.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.27120e+01
Coefficient B			-2.06209e+03
Coefficient C			-8.64470e+01
Reference			McDonald, Shrader, et al., 1959
Temperature range, min.			226.60
Temperature range, max.			341.00
Pvap	0.14	kPa	226.60	Calculated Property
Pvap	0.46	kPa	239.31	Calculated Property
Pvap	1.29	kPa	252.02	Calculated Property
Pvap	3.15	kPa	264.73	Calculated Property
Pvap	6.79	kPa	277.44	Calculated Property
Pvap	13.32	kPa	290.16	Calculated Property
Pvap	24.14	kPa	302.87	Calculated Property
Pvap	40.95	kPa	315.58	Calculated Property
Pvap	65.72	kPa	328.29	Calculated Property
Pvap	100.60	kPa	341.00	Calculated Property

Similar Compounds

Find more compounds similar to Methane, bromochloro-.

Mixtures

• 1-Propanol + Methane, bromochloro-
• Methane, bromotrichloro- + Methane, bromochloro-
• Methane, dibromo- + Methane, bromochloro-
• Methane, bromochloro- + Ethyl Acetate
• Methane, bromochloro- + Water

Sources

• KDB Vapor Pressure Data
• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Temperature and Pressure Dependence of the Volumetric Properties of Binary Liquid Mixtures Containing Dihaloalkanes
• Vapour liquid equilibrium at T = 308.15 K for binary systems: Dibromomethane + n-heptane, bromotrichloromethane + n-heptane, bromotrichloromethane + dibromomethane, bromotrichloromethane + bromochloromethane and dibromomethane + bromochloromethane. Experimental data and modelling
• (Vapor + liquid) equilibria for the binary mixtures (1-propanol + dibromomethane, or + bromochloromethane, or + 1,2-dichloroethane or +1-bromo-2-chloroethane) at T = 313.15 K.
• Isothermal Vapor-Liquid Equilibria of ethyl acetate + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or +1-bromo-2-chloroethane at T = 313.15 K
• Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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