Chemical Properties of Arabino-Hexonic acid, 3-deoxy-2,4,5,6-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester (CAS 55517-66-3)

InChI

InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3/t18-,19+,20+/m1/s1

InChI Key

VXOUZNJSOAZDPY-AABGKKOBSA-N

Formula

C21H52O6Si5

SMILES

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

Molecular Weight¹

541.06

CAS

55517-66-3

Other Names

• D-arabino-Hexonic acid, 3-deoxy-2,4,5,6-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
• 3-Deoxy-arabino-hexonic acid, pentakis-TMS
• 3-Deoxyhexonic acid, 5tms 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	0.8447		Relay (... Calculated Property
ΔfG°	-556.24	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1769.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.81	kJ/mol	Relay (... Calculated Property
IE	9.45	eV	Relay (... Calculated Property
log10WS	-2.72		Relay (... Calculated Property
logPoct/wat	6.266		Crippen Calculated Property
Pc	-152.67	kPa	Relay (... Calculated Property ⚠️
Inp	[1902.00; 1921.00]
Inp	1921.00		NIST
Inp	1902.00		NIST
Inp	1921.00		NIST
Inp	1902.00		NIST
Tboil	594.40	K	Relay (... Calculated Property
Tc	743.72	K	Relay (... Calculated Property
Tfus	283.55	K	Relay (... Calculated Property
Vc	1.820	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Arabino-Hexonic acid, 3-deoxy-2,4,5,6-tetrakis-O-(trimethylsilyl)-, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.