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

InChI

InChI=1S/C20H38S2Si2/c1-19(2,3)23(7,8)21-15-17-12-11-13-18(14-17)16-22-24(9,10)20(4,5)6/h11-14H,15-16H2,1-10H3

InChI Key

BBJXYDFNFFCZGD-UHFFFAOYSA-N

Formula

C20H38S2Si2

SMILES

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

Molecular Weight¹

398.82

Other Names

• 1,3-Benzenedimethanethiol, 2tbdms 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	0.5491		Relay (1.0) Calculated Property
ΔfG°	220.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-335.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	8.163		Crippen Calculated Property
Pc	1235.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[2567.30; 2567.30]
Inp	2567.30		NIST
Inp	2567.30		NIST
Tboil	609.34	K	Relay (1.0) Calculated Property
Tc	851.56	K	Relay (1.0) Calculated Property
Tfus	359.10	K	Relay (1.0) Calculated Property
Vc	1.267	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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