Chemical Properties of s-Triazaborane (CAS 6569-51-3)

InChI

InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H

InChI Key

BGECDVWSWDRFSP-UHFFFAOYSA-N

Formula

B3H6N3

SMILES

B1NBNBN1

Molecular Weight¹

80.50

CAS

6569-51-3

Other Names

• 1,3,5,2,4,6-Triazatriborine, hexahydro-
• B3H6N3
• Borazine
• Borazole
• Borazyne, cyclic trimer
• Hexahydro-s-triazaborine
• Triborinetriamine
• s-Triazatriborine, hexahydro-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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.
• P_vap : Vapor pressure (kPa).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	802.50	kJ/mol	NIST
BasG	772.80	kJ/mol	NIST
IE	[9.77; 10.14]	eV
IE	9.88	eV	NIST
IE	10.14 ± 0.01	eV	NIST
IE	9.88 ± 0.02	eV	NIST
IE	10.01 ± 0.01	eV	NIST
IE	9.77	eV	NIST
IE	10.09	eV	NIST
log10WS	7.37		Crippen Calculated Property
logPoct/wat	-3.432		Crippen Calculated Property
Ttriple	215.76 ± 0.02	K	NIST

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.14; 101.34]	kPa	[210.15; 326.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45538e+01
Coefficient B			-2.88879e+03
Coefficient C			-3.53900e+01
Temperature range, min.			210.15
Temperature range, max.			326.15
Pvap	0.14	kPa	210.15	Calculated Property
Pvap	0.43	kPa	223.04	Calculated Property
Pvap	1.16	kPa	235.93	Calculated Property
Pvap	2.77	kPa	248.82	Calculated Property
Pvap	5.99	kPa	261.71	Calculated Property
Pvap	11.91	kPa	274.59	Calculated Property
Pvap	22.08	kPa	287.48	Calculated Property
Pvap	38.55	kPa	300.37	Calculated Property
Pvap	63.92	kPa	313.26	Calculated Property
Pvap	101.34	kPa	326.15	Calculated Property

Similar Compounds

Find more compounds similar to s-Triazaborane.

Sources

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

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