Chemical Properties of (3R,4R)-4-azido-3-tert-butyldimethylsilyloxy-1-tert-butoxycarbonylazepane

InChI

InChI=1S/C17H34N4O3Si/c1-16(2,3)23-15(22)21-11-9-10-13(19-20-18)14(12-21)24-25(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1

InChI Key

ZHCZXPRFEHIDTA-ZIAGYGMSSA-N

Formula

C17H34N4O3Si

SMILES

CC(C)(C)OC(=O)N1CCCC(N=[N+]=[N-])C(O[Si](C)(C)C(C)(C)C)C1

Molecular Weight¹

370.56

• 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	0.6463		Relay (1.0) Calculated Property
ΔfG°	141.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-576.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	5.087		Crippen Calculated Property
Pc	974.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[2066.00; 2066.00]
Inp	2066.00		NIST
Inp	2066.00		NIST
Tboil	595.10	K	Relay (1.0) Calculated Property
Tc	810.41	K	Relay (1.0) Calculated Property
Tfus	312.85	K	Relay (1.0) Calculated Property
Vc	1.107	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (3R,4R)-4-azido-3-tert-butyldimethylsilyloxy-1-tert-butoxycarbonylazepane.

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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