Chemical Properties of Butane, 1,2,3-tris(trimethylsiloxy)- (CAS 33581-76-9)

InChI

InChI=1S/C13H34O3Si3/c1-12(15-18(5,6)7)13(16-19(8,9)10)11-14-17(2,3)4/h12-13H,11H2,1-10H3

InChI Key

YXTPRNAJOICBLA-UHFFFAOYSA-N

Formula

C13H34O3Si3

SMILES

CC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

322.66

CAS

33581-76-9

Other Names

• 1,2,3-Butanetriol, 3 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	0.5556		Relay (... Calculated Property
ΔfG°	-244.07	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-992.02	kJ/mol	Relay (... Calculated Property
ΔvapH°	56.94	kJ/mol	Relay (... Calculated Property
IE	9.43	eV	Relay (... Calculated Property
log10WS	-1.99		Relay (... Calculated Property
logPoct/wat	4.298		Crippen Calculated Property
Pc	1022.68	kPa	Relay (... Calculated Property ⚠️
Inp	[1285.70; 1285.70]
Inp	1285.70		NIST
Inp	1285.70		NIST
Tboil	521.18	K	Relay (... Calculated Property
Tc	646.58	K	Relay (... Calculated Property
Tfus	263.24	K	Relay (... Calculated Property
Vc	1.132	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2,3-tris(trimethylsiloxy)-.

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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