Chemical Properties of Butane, 1,2,4-tris(trimethylsiloxy)- (CAS 33581-75-8)

InChI

InChI=1S/C13H34O3Si3/c1-17(2,3)14-11-10-13(16-19(7,8)9)12-15-18(4,5)6/h13H,10-12H2,1-9H3

InChI Key

ZWTQGTCQGKKVSN-UHFFFAOYSA-N

Formula

C13H34O3Si3

SMILES

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

Molecular Weight¹

322.66

CAS

33581-75-8

Other Names

• butane-1,2,4-triol, 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	0.6033		Relay (... Calculated Property
ΔfG°	-233.76	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-990.75	kJ/mol	Relay (... Calculated Property
ΔvapH°	57.40	kJ/mol	Relay (... Calculated Property
IE	9.25	eV	Relay (... Calculated Property
log10WS	-1.83		Relay (... Calculated Property
logPoct/wat	4.300		Crippen Calculated Property
Pc	1007.82	kPa	Relay (... Calculated Property ⚠️
Inp	[1353.60; 1353.60]
Inp	1353.60		NIST
Inp	1353.60		NIST
Tboil	526.10	K	Relay (... Calculated Property
Tc	660.88	K	Relay (... Calculated Property
Tfus	251.88	K	Relay (... Calculated Property
Vc	1.142	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2,4-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.