Chemical Properties of Trp isoBOC TBDMS

InChI

InChI=1S/C22H34N2O4Si/c1-15(2)14-27-21(26)24-19(20(25)28-29(6,7)22(3,4)5)12-16-13-23-18-11-9-8-10-17(16)18/h8-11,13,15,19,23H,12,14H2,1-7H3,(H,24,26)

InChI Key

UBJDCJWOXGVZHA-UHFFFAOYSA-N

Formula

C22H34N2O4Si

SMILES

CC(C)COC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

418.60

Other Names

• Trp, N-isoBOC TBDMS

• 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	0.9060		Relay (... Calculated Property
ΔfG°	-85.49	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-885.39	kJ/mol	Relay (... Calculated Property
ΔvapH°	117.35	kJ/mol	Relay (... Calculated Property
IE	8.08	eV	Relay (... Calculated Property
log10WS	-4.89		Relay (... Calculated Property
logPoct/wat	4.528		Crippen Calculated Property
Pc	1146.74	kPa	Relay (... Calculated Property ⚠️
Inp	[2867.00; 2870.00]
Inp	2870.00		NIST
Inp	2867.00		NIST
Inp	2870.00		NIST
Tboil	679.76	K	Relay (... Calculated Property
Tc	978.43	K	Relay (... Calculated Property
Tfus	385.14	K	Relay (... Calculated Property
Vc	1.229	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Trp isoBOC TBDMS.

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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