Chemical Properties of 6-Azathymine, bis(trimethylsilyl) ether (CAS 17331-64-5)

InChI

InChI=1S/C10H21N3O2Si2/c1-8-9(14-16(2,3)4)11-10(13-12-8)15-17(5,6)7/h1-7H3

InChI Key

WFMAXSXEHMITKR-UHFFFAOYSA-N

Formula

C10H21N3O2Si2

SMILES

Cc1nnc(O[Si](C)(C)C)nc1O[Si](C)(C)C

Molecular Weight¹

271.46

CAS

17331-64-5

Other Names

• 6-Azathymine, TMS

• 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).
• 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	0.5779		Relay (1.0) Calculated Property
ΔfG°	127.71	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-432.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-1.95		Relay (1.0) Calculated Property
logPoct/wat	2.607		Crippen Calculated Property
Pc	1512.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1459.80; 1500.00]
Inp	1459.80		NIST
Inp	1500.00		NIST
Inp	1500.00		NIST
Inp	1467.60		NIST
Inp	1459.80		NIST
Tboil	510.31	K	Relay (1.0) Calculated Property
Tc	734.16	K	Relay (1.0) Calculated Property
Tfus	325.37	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6-Azathymine, bis(trimethylsilyl) ether.

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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