Chemical Properties of 1-Octanol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C14H32OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h7-13H2,1-6H3

InChI Key

UBGVJSRKDQAEKE-UHFFFAOYSA-N

Formula

C14H32OSi

SMILES

CCCCCCCCO[Si](C)(C)C(C)(C)C

Molecular Weight¹

244.50

Other Names

• 1-Octanol, tBDMS
• 1-Octanol, tbdms derivative
• tert-Butyl(dimethyl)(octyloxy)silane

• 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	0.5906		Relay (1.0) Calculated Property
ΔfH°gas	-550.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
logPoct/wat	5.369		Crippen Calculated Property
Pc	1600.84	kPa	Relay (1.0-beta) Calculated Property
Inp	[1390.50; 1390.50]
Inp	1390.50		NIST
Inp	1390.50		NIST
Tboil	517.53	K	Relay (1.0) Calculated Property
Tc	696.31	K	Relay (1.0) Calculated Property
Tfus	229.42	K	Relay (1.0) Calculated Property
Vc	0.897	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 1-Octanol, 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.