Chemical Properties of Borazine, 1,3,5-trimethyl- (CAS 1004-35-9)

InChI

InChI=1S/C3H12B3N3/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

InChI Key

SIJDQNVSAGQBND-UHFFFAOYSA-N

Formula

C3H12B3N3

SMILES

CN1BN(C)BN(C)B1

Molecular Weight¹

122.58

CAS

1004-35-9

Other Names

• 1,3,5-Trimethylborazine
• N,N',N''-Trimethylborazine
• Trimethylborazine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• 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	0.4137		Relay (... Calculated Property
ΔfG°	180.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-75.66	kJ/mol	Relay (... Calculated Property
ΔvapH°	50.57	kJ/mol	Relay (... Calculated Property
IE	[8.99; 9.28]	eV
IE	9.07	eV	NIST
IE	8.99	eV	NIST
IE	9.28 ± 0.02	eV	NIST
log10WS	-0.53		Relay (... Calculated Property
logPoct/wat	-2.405		Crippen Calculated Property
Pc	3892.30	kPa	Relay (... Calculated Property ⚠️
Tboil	460.10	K	Relay (... Calculated Property
Tc	625.77	K	Relay (... Calculated Property
Tfus	351.34	K	Relay (... Calculated Property
Vc	0.427	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Borazine, 1,3,5-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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