Chemical Properties of Bromochlorodifluoromethane (CAS 353-59-3)

InChI

InChI=1S/CBrClF2/c2-1(3,4)5

InChI Key

MEXUFEQDCXZEON-UHFFFAOYSA-N

Formula

CBrClF2

SMILES

FC(F)(Cl)Br

Molecular Weight¹

165.37

CAS

353-59-3

Other Names

• BCF
• Bromochlorodifluoromethane [R12B1]
• CF2BrCl
• Chlorobromodifluoromethane
• Chlorodifluorobromomethane
• Chlorodifluoromonobromomethane
• Daiflon 12B1
• Difluorochlorobromomethane
• Flugex 12B1
• Fluorocarbon 1211
• Freon 12B1
• Halon 1211
• Methane, bromochlorodifluoro-
• R 12 B1
• UN 1974

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1840		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG°	-426.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.20 ± 5.50	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfusH°	6.57	kJ/mol	Joback Calculated Property
ΔvapH°	24.27	kJ/mol	Relay (1.0) Calculated Property
IE	[11.21; 11.83]	eV
IE	11.21 ± 0.02	eV	NIST
IE	11.83	eV	NIST
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	2.170		Crippen Calculated Property
McVol	58.230	ml/mol	McGowan Calculated Property
Pc	[4245.52; 4250.00]	kPa
Pc	4250.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	4245.52	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[398.00; 405.00]
Inp	398.00		NIST
Inp	398.00		NIST
Inp	405.00		NIST
Inp	405.00		NIST
Tboil	270.60	K	NIST
Tc	[426.90; 426.90]	K
Tc	426.90	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	426.90	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	113.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	[0.230; 0.247]	m3/kmol
Vc	0.247	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Vc	0.230	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc	0.2960000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[18.70; 26.00]	kJ/mol	[230.50; 415.00]
ΔvapH	26.00	kJ/mol	230.50	NIST
ΔvapH	18.70	kJ/mol	230.50	NIST
ΔvapH	23.10	kJ/mol	240.50	NIST
ΔvapH	23.00	kJ/mol	296.00	NIST
ΔvapH	22.40	kJ/mol	362.00	NIST
ΔvapH	23.10	kJ/mol	415.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[69.02; 103.87]	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			1.07700e+01
Coefficient B			2.93200e-01
Coefficient C			-3.27000e-04
Coefficient D			1.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	69.02	J/mol×K	273.00	Calculated Property
Cp,gas	79.19	J/mol×K	353.78	Calculated Property
Cp,gas	86.85	J/mol×K	434.56	Calculated Property
Cp,gas	92.39	J/mol×K	515.33	Calculated Property
Cp,gas	96.23	J/mol×K	596.11	Calculated Property
Cp,gas	98.77	J/mol×K	676.89	Calculated Property
Cp,gas	100.40	J/mol×K	757.67	Calculated Property
Cp,gas	101.52	J/mol×K	838.44	Calculated Property
Cp,gas	102.55	J/mol×K	919.22	Calculated Property
Cp,gas	103.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[7.33e-06; 4255.61]	kPa	[114.00; 426.15]	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			6.14922e+01
Coefficient B			-4.38507e+03
Coefficient C			-7.38664e+00
Coefficient D			1.03430e-05
Coefficient E			0.00000e+00
Temperature range, min.			114.00
Temperature range, max.			426.15
Pvap	7.33e-06	kPa	114.00	Calculated Property
Pvap	8.93e-03	kPa	148.68	Calculated Property
Pvap	0.57	kPa	183.37	Calculated Property
Pvap	8.15	kPa	218.05	Calculated Property
Pvap	51.26	kPa	252.73	Calculated Property
Pvap	195.29	kPa	287.42	Calculated Property
Pvap	541.55	kPa	322.10	Calculated Property
Pvap	1219.26	kPa	356.78	Calculated Property
Pvap	2387.67	kPa	391.47	Calculated Property
Pvap	4255.61	kPa	426.15	Calculated Property
Pvap	[0.33; 167.73]	kPa	[177.82; 283.04]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37326e+01
Coefficient B			-2.15584e+03
Coefficient C			-3.26590e+01
Reference			Glew, 1960
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			177.82
Temperature range, max.			283.04
Pvap	0.33	kPa	177.82	Calculated Property
Pvap	0.99	kPa	189.51	Calculated Property
Pvap	2.56	kPa	201.20	Calculated Property
Pvap	5.88	kPa	212.89	Calculated Property
Pvap	12.18	kPa	224.58	Calculated Property
Pvap	23.22	kPa	236.28	Calculated Property
Pvap	41.26	kPa	247.97	Calculated Property
Pvap	69.09	kPa	259.66	Calculated Property
Pvap	110.02	kPa	271.35	Calculated Property
Pvap	167.73	kPa	283.04	Calculated Property

Similar Compounds

Find more compounds similar to Bromochlorodifluoromethane.

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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
• 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
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.