Chemical Properties of 1,3-Benzenedimethanethiol, S,S'-bis(trimethylsilyl)-

InChI

InChI=1S/C14H26S2Si2/c1-17(2,3)15-11-13-8-7-9-14(10-13)12-16-18(4,5)6/h7-10H,11-12H2,1-6H3

InChI Key

BHWMSITZTMKEAH-UHFFFAOYSA-N

Formula

C14H26S2Si2

SMILES

C[Si](C)(C)SCc1cccc(CS[Si](C)(C)C)c1

Molecular Weight¹

314.67

Other Names

• 1,3-Benzenedimethanethiol, 2tms derivative

• ω : Acentric Factor.
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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	0.4672		Relay (1.0) Calculated Property
ΔvapH°	73.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
Pc	1223.41	kPa	Relay (1.0-beta) Calculated Property
Inp	[2050.60; 2050.60]
Inp	2050.60		NIST
Inp	2050.60		NIST
Tboil	582.17	K	Relay (1.0) Calculated Property
Tc	787.01	K	Relay (1.0) Calculated Property
Tfus	312.10	K	Relay (1.0) Calculated Property
Vc	0.978	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1,3-Benzenedimethanethiol, S,S'-bis(trimethylsilyl)-.

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.
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