Chemical Properties of 4-Isopropylbenzenethiol, S-(tert-butyldimethylsilyl)-

InChI

InChI=1S/C15H26SSi/c1-12(2)13-8-10-14(11-9-13)16-17(6,7)15(3,4)5/h8-12H,1-7H3

InChI Key

ZDNDUCHDMIXJKU-UHFFFAOYSA-N

Formula

C15H26SSi

SMILES

CC(C)c1ccc(S[Si](C)(C)C(C)(C)C)cc1

Molecular Weight¹

266.52

Other Names

• 4-Isopropylbenzenethiol, tbdms derivative

• 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
ΔvapH°	64.96	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
logPoct/wat	5.907		Crippen Calculated Property
Pc	1736.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[1734.40; 1734.40]
Inp	1734.40		NIST
Inp	1734.40		NIST
Tboil	563.51	K	Relay (1.0) Calculated Property
Tc	766.93	K	Relay (1.0) Calculated Property
Tfus	337.60	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 4-Isopropylbenzenethiol, 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

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.