Chemical Properties of 3-Hexanol, bromomethyldimethylsilyl ether

InChI

InChI=1S/C9H21BrOSi/c1-5-7-9(6-2)11-12(3,4)8-10/h9H,5-8H2,1-4H3

InChI Key

QSSFURWCRRFYRY-UHFFFAOYSA-N

Formula

C9H21BrOSi

SMILES

CCCC(CC)O[Si](C)(C)CBr

Molecular Weight¹

253.25

• 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	0.5156		Relay (... Calculated Property
ΔfG°	-83.81	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-459.79	kJ/mol	Relay (... Calculated Property
ΔvapH°	53.65	kJ/mol	Relay (... Calculated Property
IE	9.57	eV	Relay (... Calculated Property
log10WS	-2.59		Relay (... Calculated Property
logPoct/wat	3.721		Crippen Calculated Property
Pc	2053.94	kPa	Relay (... Calculated Property ⚠️
Inp	[1235.00; 1235.00]
Inp	1235.00		NIST
Inp	1235.00		NIST
Tboil	485.57	K	Relay (... Calculated Property
Tc	645.12	K	Relay (... Calculated Property
Tfus	175.75	K	Relay (... Calculated Property
Vc	0.669	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, bromomethyldimethylsilyl 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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