Chemical Properties of Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester

InChI

InChI=1S/C15H34O5Si3/c1-21(2,3)18-13(15(17)20-23(7,8)9)11-10-12-14(16)19-22(4,5)6/h13H,10-12H2,1-9H3

InChI Key

SCMUEAPKCNESEW-UHFFFAOYSA-N

Formula

C15H34O5Si3

SMILES

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

Molecular Weight¹

378.68

Other Names

• 2,3,4-Trideoxyhexaric acid, TMS
• 2-Hydroxyadipic acid, triTMS

• 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	0.7712		Relay (... Calculated Property
ΔfG°	-523.79	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1395.47	kJ/mol	Relay (... Calculated Property
ΔvapH°	73.40	kJ/mol	Relay (... Calculated Property
IE	9.69	eV	Relay (... Calculated Property
log10WS	-2.02		Relay (... Calculated Property
logPoct/wat	4.133		Crippen Calculated Property
Pc	685.46	kPa	Relay (... Calculated Property ⚠️
Inp	[1679.00; 1689.00]
Inp	1682.00		NIST
Inp	1679.00		NIST
Inp	1689.00		NIST
Inp	1683.00		NIST
Inp	1683.00		NIST
Inp	1682.00		NIST
Tboil	541.97	K	Relay (... Calculated Property
Tc	708.21	K	Relay (... Calculated Property
Tfus	287.10	K	Relay (... Calculated Property
Vc	1.247	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, 2-trimethylsilyloxy-, bis(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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