Chemical Properties of Ethyl (6S,7R)-8-azido-7-tert-butyldimethylsilyloxy-6-hydroxy-oct-2-enoate

InChI

InChI=1S/C16H31N3O4Si/c1-7-22-15(21)11-9-8-10-13(20)14(12-18-19-17)23-24(5,6)16(2,3)4/h9,11,13-14,20H,7-8,10,12H2,1-6H3/b11-9+

InChI Key

VGQFDDYPZTVVJO-PKNBQFBNSA-N

Formula

C16H31N3O4Si

SMILES

CCOC(=O)C=CCCC(O)C(CN=[N+]=[N-])O[Si](C)(C)C(C)(C)C

Molecular Weight¹

357.52

• 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	0.8348		Relay (... Calculated Property
ΔfG°	-25.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-659.43	kJ/mol	Relay (... Calculated Property
ΔvapH°	91.26	kJ/mol	Relay (... Calculated Property
IE	8.76	eV	Relay (... Calculated Property
log10WS	-2.63		Relay (... Calculated Property
logPoct/wat	3.948		Crippen Calculated Property
Pc	1346.68	kPa	Relay (... Calculated Property ⚠️
Inp	[1864.00; 1864.00]
Inp	1864.00		NIST
Inp	1864.00		NIST
Tboil	596.72	K	Relay (... Calculated Property
Tc	775.70	K	Relay (... Calculated Property
Tfus	346.59	K	Relay (... Calculated Property
Vc	1.021	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ethyl (6S,7R)-8-azido-7-tert-butyldimethylsilyloxy-6-hydroxy-oct-2-enoate.

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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