Chemical Properties of Boron trifluoride (CAS 7637-07-2)

InChI

InChI=1S/BF3/c2-1(3)4

InChI Key

WTEOIRVLGSZEPR-UHFFFAOYSA-N

Formula

BF3

SMILES

FB(F)F

Molecular Weight¹

67.81

CAS

7637-07-2

Other Names

• Anca 1040
• BF3
• Borane, trifluoro-
• Boron fluoride
• Boron fluoride (BF3)
• Fluorure de bore
• Trifluoroborane
• Trifluoroboron
• UN 1008

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• S°_{gas,1 bar} : Molar entropy at standard conditions (1 bar) (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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3930		KDB
μ	0.00	debye	KDB
EA	2.65	eV	NIST
ΔfG°	-1120.00	kJ/mol	KDB
ΔfH°gas	[-1136.00; -1136.00]	kJ/mol
ΔfH°gas	-1136.00	kJ/mol	KDB
ΔfH°gas	-1136.00 ± 0.80	kJ/mol	NIST
IE	[15.25; 16.00]	eV
IE	15.70 ± 0.30	eV	NIST
IE	16.00 ± 1.00	eV	NIST
IE	15.94	eV	NIST
IE	15.50	eV	NIST
IE	15.96 ± 0.01	eV	NIST
IE	Outlier 15.25	eV	NIST
IE	15.71 ± 0.10	eV	NIST
IE	15.57 ± 0.02	eV	NIST
IE	15.55 ± 0.04	eV	NIST
IE	15.96	eV	NIST
IE	16.00	eV	NIST
IE	15.95	eV	NIST
logPoct/wat	0.880		Crippen Calculated Property
Pc	4980.00	kPa	KDB
S°gas,1 bar	254.42 ± 0.20	J/mol×K	NIST
Tboil	172.00	K	KDB
Tc	260.80	K	KDB
Tfus	146.30	K	KDB
Vc	0.115	m3/kmol	KDB
Zc	0.2641090		KDB

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[50.43; 75.81]	J/mol×K	[298.00; 1000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.12863e+01
Coefficient B			1.30301e+02
Coefficient C			-1.09992e+02
Coefficient D			3.42884e+01
Coefficient E			-7.33860e-02
Reference			Chase, 1998
Temperature range, min.			298.00
Temperature range, max.			1000.00
Cp,gas	50.43	J/mol×K	298.00	Calculated Property
Cp,gas	56.03	J/mol×K	376.00	Calculated Property
Cp,gas	60.62	J/mol×K	454.00	Calculated Property
Cp,gas	64.38	J/mol×K	532.00	Calculated Property
Cp,gas	67.43	J/mol×K	610.00	Calculated Property
Cp,gas	69.88	J/mol×K	688.00	Calculated Property
Cp,gas	71.84	J/mol×K	766.00	Calculated Property
Cp,gas	73.42	J/mol×K	844.00	Calculated Property
Cp,gas	74.71	J/mol×K	922.00	Calculated Property
Cp,gas	75.81	J/mol×K	1000.00	Calculated Property
Cp,gas	[75.76; 82.92]	J/mol×K	[1000.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.12370e+01
Coefficient B			1.09633e+00
Coefficient C			-2.26830e-01
Coefficient D			1.59810e-02
Coefficient E			-6.36662e+00
Reference			Chase, 1998
Temperature range, min.			1000.00
Temperature range, max.			6000.00
Cp,gas	75.76	J/mol×K	1000.00	Calculated Property
Cp,gas	79.82	J/mol×K	1555.56	Calculated Property
Cp,gas	81.26	J/mol×K	2111.11	Calculated Property
Cp,gas	81.96	J/mol×K	2666.67	Calculated Property
Cp,gas	82.34	J/mol×K	3222.22	Calculated Property
Cp,gas	82.56	J/mol×K	3777.78	Calculated Property
Cp,gas	82.69	J/mol×K	4333.33	Calculated Property
Cp,gas	82.78	J/mol×K	4888.89	Calculated Property
Cp,gas	82.85	J/mol×K	5444.44	Calculated Property
Cp,gas	82.92	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[7.53; 5023.72]	kPa	[144.78; 260.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47734e+01
Coefficient B			-1.42384e+03
Coefficient C			-3.31400e+01
Temperature range, min.			144.78
Temperature range, max.			260.90
Pvap	7.53	kPa	144.78	Calculated Property
Pvap	28.24	kPa	157.68	Calculated Property
Pvap	82.60	kPa	170.58	Calculated Property
Pvap	200.94	kPa	183.49	Calculated Property
Pvap	424.76	kPa	196.39	Calculated Property
Pvap	804.61	kPa	209.29	Calculated Property
Pvap	1396.88	kPa	222.19	Calculated Property
Pvap	2260.07	kPa	235.10	Calculated Property
Pvap	3451.36	kPa	248.00	Calculated Property
Pvap	5023.72	kPa	260.90	Calculated Property
Pvap	[0.13; 100.03]	kPa	[118.50; 172.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53862e+01
Coefficient B			-1.52768e+03
Coefficient C			-3.07950e+01
Reference			Stull, 1947
Temperature range, min.			118.50
Temperature range, max.			172.50
Pvap	0.13	kPa	118.50	Calculated Property
Pvap	0.40	kPa	124.50	Calculated Property
Pvap	1.07	kPa	130.50	Calculated Property
Pvap	2.54	kPa	136.50	Calculated Property
Pvap	5.53	kPa	142.50	Calculated Property
Pvap	11.10	kPa	148.50	Calculated Property
Pvap	20.84	kPa	154.50	Calculated Property
Pvap	36.90	kPa	160.50	Calculated Property
Pvap	62.11	kPa	166.50	Calculated Property
Pvap	100.03	kPa	172.50	Calculated Property

Similar Compounds

Find more compounds similar to Boron trifluoride.

Sources

• Crippen Method
• Crippen Method
• KDB
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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