Chemical Properties of Arabino-hexaric acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, bis(trimethylsilyl) ester (CAS 38165-98-9)

InChI

InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-18(22)25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19-,20?/m0/s1

InChI Key

DLLLLQVGPTWBCA-CTCAENTCSA-N

Formula

C21H50O7Si5

SMILES

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

Molecular Weight¹

555.04

CAS

38165-98-9

Other Names

• 1,6-Bis(trimethylsilyl) 2-deoxy-3,4,5-tris-O-(trimethylsilyl)arabino-hexarate
• 2-Deoxy-arabino-hexaric acid, pentakis-TMS
• 2-Deoxy-arabino-hexaric acid, TMS

• 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	0.8686		Relay (... Calculated Property
ΔfG°	-705.61	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1949.95	kJ/mol	Relay (... Calculated Property
ΔvapH°	77.34	kJ/mol	Relay (... Calculated Property
IE	9.72	eV	Relay (... Calculated Property
log10WS	-2.89		Relay (... Calculated Property
logPoct/wat	5.793		Crippen Calculated Property
Pc	-158.94	kPa	Relay (... Calculated Property ⚠️
Inp	[1915.00; 1952.00]
Inp	1952.00		NIST
Inp	1915.00		NIST
Inp	1952.00		NIST
Tboil	592.03	K	Relay (... Calculated Property
Tc	750.48	K	Relay (... Calculated Property
Tfus	284.51	K	Relay (... Calculated Property
Vc	1.814	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Arabino-hexaric acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)-, 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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