Chemical Properties of 3-Hydroxyglutaric acid, tri-TMS

InChI

InChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-13(15)18-21(4,5)6)11-14(16)19-22(7,8)9/h12H,10-11H2,1-9H3

InChI Key

RJMRWIUUBIKMHF-UHFFFAOYSA-N

Formula

C14H32O5Si3

SMILES

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

Molecular Weight¹

364.66

Other Names

• 2,4-Dideoxypentaric acid, TMS
• Pentanedioic acid, 3-trmethylsilyloxy, bis(trimethylsilyl) ester

• 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	0.7149		Relay (... Calculated Property
ΔfG°	-524.75	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1379.89	kJ/mol	Relay (... Calculated Property
ΔvapH°	67.70	kJ/mol	Relay (... Calculated Property
IE	9.86	eV	Relay (... Calculated Property
log10WS	-1.87		Relay (... Calculated Property
logPoct/wat	3.743		Crippen Calculated Property
Pc	827.42	kPa	Relay (... Calculated Property ⚠️
Inp	[1582.00; 1596.00]
Inp	1583.00		NIST
Inp	1582.00		NIST
Inp	1596.00		NIST
Inp	1590.00		NIST
Inp	1590.00		NIST
Inp	1582.00		NIST
Tboil	522.12	K	Relay (... Calculated Property
Tc	692.85	K	Relay (... Calculated Property
Tfus	273.56	K	Relay (... Calculated Property
Vc	1.191	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxyglutaric acid, tri-TMS.

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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