Chemical Properties of 6-Bromo-5-tert-butyldimethylsilyloxy-2,3,6-trideoxy-D-erythro-hexono-1,4-lactone

InChI

InChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h9-10H,6-8H2,1-5H3

InChI Key

DTWCYAFYPUNCJW-UHFFFAOYSA-N

Formula

C12H23BrO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(CBr)C1CCC(=O)O1

Molecular Weight¹

323.30

• 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	0.5774		Relay (... Calculated Property
ΔfG°	-282.94	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-775.50	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.89	kJ/mol	Relay (... Calculated Property
IE	9.59	eV	Relay (... Calculated Property
log10WS	-2.35		Relay (... Calculated Property
logPoct/wat	3.477		Crippen Calculated Property
Pc	2029.13	kPa	Relay (... Calculated Property ⚠️
Inp	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	604.52	K	Relay (... Calculated Property
Tc	794.38	K	Relay (... Calculated Property
Tfus	341.65	K	Relay (... Calculated Property
Vc	0.797	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromo-5-tert-butyldimethylsilyloxy-2,3,6-trideoxy-D-erythro-hexono-1,4-lactone.

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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