Chemical Properties of Bromotrifluoromethane (CAS 75-63-8)

InChI

InChI=1S/CBrF3/c2-1(3,4)5

InChI Key

RJCQBQGAPKAMLL-UHFFFAOYSA-N

Formula

CBrF3

SMILES

FC(F)(F)Br

Molecular Weight¹

148.91

CAS

75-63-8

Other Names

• Bromofluoroform
• CBrF3
• CF3Br
• Carbon monobromide trifluoride
• Daiflon 13B1
• F 13B1
• FC 13B1
• Flugex 13B1
• Fluorocarbon 1301
• Freon 13B1
• Halon 1301
• Khladon 13B1
• Methane, bromotrifluoro-
• Monobromotrifluoromethane
• R 13B1
• Refrigerant 13B1
• Trifluorobromomethane
• Trifluoromethyl bromide
• Trifluoromonobromomethane
• UN 1009

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_c : Critical density (kg/m³).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2640		Relay (1.0) Calculated Property
PAff	580.00	kJ/mol	NIST
BasG	550.30	kJ/mol	NIST
EA	0.91 ± 0.20	eV	NIST
ΔfH°gas	[-649.40; -647.30]	kJ/mol
ΔfH°gas	-647.30 ± 2.90	kJ/mol	NIST
ΔfH°gas	-649.40 ± 3.20	kJ/mol	NIST
ΔfusH°	5.46	kJ/mol	Joback Calculated Property
ΔvapH°	18.39	kJ/mol	Relay (1.0) Calculated Property
IE	[11.40; 12.40]	eV
IE	11.40 ± 0.01	eV	NIST
IE	11.40 ± 0.01	eV	NIST
IE	11.76 ± 0.02	eV	NIST
IE	11.70	eV	NIST
IE	11.82 ± 0.02	eV	NIST
IE	11.89 ± 0.10	eV	NIST
IE	12.30 ± 0.30	eV	NIST
IE	12.40	eV	NIST
IE	12.08 ± 0.05	eV	NIST
IE	12.10	eV	NIST
IE	12.00	eV	NIST
IE	12.12 ± 0.02	eV	NIST
log10WS	-1.24		Relay (1.0) Calculated Property
logPoct/wat	1.901		Crippen Calculated Property
McVol	47.760	ml/mol	McGowan Calculated Property
Pc	3956.00 ± 3.00	kPa	NIST
ρc	763.91 ± 4.47	kg/m3	NIST
Inp	[222.00; 222.00]
Inp	222.00		NIST
Inp	222.00		NIST
Tboil	215.30	K	NIST
Tc	340.08 ± 0.02	K	NIST
Tfus	[98.47; 98.72]	K
Tfus	98.47 ± 0.05	K	NIST
Tfus	98.72 ± 0.05	K	NIST
Vc	0.218	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[65.29; 83.79]	J/mol×K	[283.02; 447.40]
Cp,gas	65.29	J/mol×K	283.02	Joback Calculated Property
Cp,gas	69.11	J/mol×K	310.42	Joback Calculated Property
Cp,gas	72.61	J/mol×K	337.81	Joback Calculated Property
Cp,gas	75.81	J/mol×K	365.21	Joback Calculated Property
Cp,gas	78.73	J/mol×K	392.60	Joback Calculated Property
Cp,gas	81.39	J/mol×K	420.00	Joback Calculated Property
Cp,gas	83.79	J/mol×K	447.40	Joback Calculated Property
Cp,liquid	[93.53; 163.80]	J/mol×K	[170.00; 293.00]
Cp,liquid	93.53	J/mol×K	170.00	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	94.71	J/mol×K	180.00	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	95.98	J/mol×K	190.00	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	97.36	J/mol×K	200.00	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	98.88	J/mol×K	210.00	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	163.80	J/mol×K	293.00	NIST
ΔvapH	[17.70; 19.10]	kJ/mol	[190.50; 308.00]
ΔvapH	19.10	kJ/mol	190.50	NIST
ΔvapH	17.70	kJ/mol	213.50	NIST
ΔvapH	17.80	kJ/mol	308.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.90e-04; 4288.50]	kPa	[105.15; 340.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.46449e+01
Coefficient B			-3.96443e+03
Coefficient C			-1.17615e+01
Coefficient D			3.40177e-05
Temperature range, min.			105.15
Temperature range, max.			340.15
Pvap	5.90e-04	kPa	105.15	Calculated Property
Pvap	0.10	kPa	131.26	Calculated Property
Pvap	2.22	kPa	157.37	Calculated Property
Pvap	17.84	kPa	183.48	Calculated Property
Pvap	78.05	kPa	209.59	Calculated Property
Pvap	236.84	kPa	235.71	Calculated Property
Pvap	573.08	kPa	261.82	Calculated Property
Pvap	1205.20	kPa	287.93	Calculated Property
Pvap	2328.41	kPa	314.04	Calculated Property
Pvap	4288.50	kPa	340.15	Calculated Property

Similar Compounds

Find more compounds similar to Bromotrifluoromethane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• 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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