Chemical Properties of Hexanoic acid, 6-[bis(trimethylsilyl)amino]-, trimethylsilyl ester (CAS 25688-76-0)

InChI

InChI=1S/C15H37NO2Si3/c1-19(2,3)16(20(4,5)6)14-12-10-11-13-15(17)18-21(7,8)9/h10-14H2,1-9H3

InChI Key

CTVFIGVGDCRENC-UHFFFAOYSA-N

Formula

C15H37NO2Si3

SMILES

C[Si](C)(C)OC(=O)CCCCCN([Si](C)(C)C)[Si](C)(C)C

Molecular Weight¹

347.72

CAS

25688-76-0

Other Names

• Trimethylsilyl 6-[bis(trimethylsilyl)amino]hexanoate
• Hexanoic acid, 6-amino, O,N,N-tris-TMS
• Silanol, trimethyl-, 6-[bis(trimethylsilyl)amino]hexanoate
• Caproic acid, 6-amino, 3TMS
• Aminocaproic acid, 3tms derivative

• 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	0.6871		Relay (... Calculated Property
ΔfG°	-85.51	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-874.81	kJ/mol	Relay (... Calculated Property
ΔvapH°	62.93	kJ/mol	Relay (... Calculated Property
IE	8.14	eV	Relay (... Calculated Property
log10WS	-2.44		Relay (... Calculated Property
logPoct/wat	4.897		Crippen Calculated Property
Pc	740.11	kPa	Relay (... Calculated Property ⚠️
Inp	[1725.00; 1726.00]
Inp	1725.00		NIST
Inp	1726.00		NIST
Inp	1725.00		NIST
Tboil	536.08	K	Relay (... Calculated Property
Tc	714.54	K	Relay (... Calculated Property
Tfus	263.56	K	Relay (... Calculated Property
Vc	1.203	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 6-[bis(trimethylsilyl)amino]-, 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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