Chemical Properties of 7-Trimethylsilyloxyoctanoic acid, trimethylsilyl ester

InChI

InChI=1S/C14H32O3Si2/c1-13(16-18(2,3)4)11-9-8-10-12-14(15)17-19(5,6)7/h13H,8-12H2,1-7H3

InChI Key

FXUUKLLEDPMOAB-UHFFFAOYSA-N

Formula

C14H32O3Si2

SMILES

CC(CCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

304.57

Other Names

• Octanoic acid, 7-hydroxy, di-TMS
• Octanoic acid, 7-trimethylsilyloxy, trimethylsilyl ester
• 7-Hydroxyoctanoic acid, diTMS

• 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	0.6957		Relay (1.0) Calculated Property
ΔfG°	-297.96	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-983.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	4.555		Crippen Calculated Property
Pc	1012.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[1551.00; 1555.00]
Inp	1551.00		NIST
Inp	1555.00		NIST
Inp	1555.00		NIST
Inp	1551.00		NIST
Inp	1555.00		NIST
Tboil	526.42	K	Relay (1.0) Calculated Property
Tc	681.22	K	Relay (1.0) Calculated Property
Tfus	253.65	K	Relay (1.0) Calculated Property
Vc	1.060	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 7-Trimethylsilyloxyoctanoic acid, trimethylsilyl ester.

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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