Chemical Properties of 1,4-Benzenedimethanethiol, S-(tert-butyldimethylsilyl)-

InChI

InChI=1S/C14H24S2Si/c1-14(2,3)17(4,5)16-11-13-8-6-12(10-15)7-9-13/h6-9,15H,10-11H2,1-5H3

InChI Key

PGVVHQLODVVMTB-UHFFFAOYSA-N

Formula

C14H24S2Si

SMILES

CC(C)(C)[Si](C)(C)SCc1ccc(CS)cc1

Molecular Weight¹

284.56

Other Names

• 1,4-Benzenedimethanethiol, tbdms derivative

• 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	0.5147		Relay (1.0) Calculated Property
ΔfG°	168.75	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-154.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.80	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	5.355		Crippen Calculated Property
Pc	1709.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[2123.10; 2123.10]
Inp	2123.10		NIST
Inp	2123.10		NIST
Tboil	593.77	K	Relay (1.0) Calculated Property
Tc	815.03	K	Relay (1.0) Calculated Property
Tfus	335.28	K	Relay (1.0) Calculated Property
Vc	0.821	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedimethanethiol, S-(tert-butyldimethylsilyl)-.

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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