Chemical Properties of Bis(trimethylsilyl) sulfate (CAS 18306-29-1)

InChI

InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3

InChI Key

KRUQDZRWZXUUAD-UHFFFAOYSA-N

Formula

C6H18O4SSi2

SMILES

C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C

Molecular Weight¹

242.44

CAS

18306-29-1

Other Names

• Sulfuric acid, bis(trimethylsilyl) ester
• Silanol, trimethyl-, sulfate (2:1)
• Sulfuric acid, bis(trimethylsilyl)-
• Sulfuric acid, TMS
• bis(trimethylsilyl) sulphate

• 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_boilr : Boiling point at reduced pressure (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	0.5479		Relay (1.0) Calculated Property
ΔfG°	-507.86	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1022.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.42	eV	Relay (1.0) Calculated Property
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	1.934		Crippen Calculated Property
Pc	1722.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1148.00; 1171.00]
Inp	1171.00		NIST
Inp	1171.00		NIST
Inp	1148.00		NIST
Inp	1148.00		NIST
Tboil	470.99	K	Relay (1.0) Calculated Property
Tc	644.35	K	Relay (1.0) Calculated Property
Tfus	[318.50; 330.00]	K
Tfus	330.00 ± 1.00	K	NIST
Tfus	318.50 ± 0.50	K	NIST
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[363.00; 391.00]	K	[0.50; 2.40]
Tboilr	363.00	K	0.50	NIST
Tboilr	391.00	K	2.40	NIST

Similar Compounds

Find more compounds similar to Bis(trimethylsilyl) sulfate.

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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