Chemical Properties of Hexyl alcohol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C12H28OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h7-11H2,1-6H3

InChI Key

KYTFGLILXWWPHX-UHFFFAOYSA-N

Formula

C12H28OSi

SMILES

CCCCCCO[Si](C)(C)C(C)(C)C

Molecular Weight¹

216.44

Other Names

• tert-Butyl(hexyloxy)dimethylsilane
• 1-Hexanol, tBDMS
• 1-Hexanol, tbdms derivative

• ω : Acentric Factor.
• 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).
• 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	0.5130		Relay (1.0) Calculated Property
ΔfH°gas	-509.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
logPoct/wat	4.588		Crippen Calculated Property
Pc	1835.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1202.20; 1202.20]
Inp	1202.20		NIST
Inp	1202.20		NIST
Tboil	486.96	K	Relay (1.0) Calculated Property
Tc	666.73	K	Relay (1.0) Calculated Property
Tfus	216.55	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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 Hexyl alcohol, tert-butyldimethylsilyl ether.

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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