Chemical Properties of Phenylalanine, mono-TMS (CAS 5269-44-3)

InChI

InChI=1S/C12H19NO2Si/c1-16(2,3)13-11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3,(H,14,15)

InChI Key

GGROBZMHJUTPPE-UHFFFAOYSA-N

Formula

C12H19NO2Si

SMILES

C[Si](C)(C)NC(Cc1ccccc1)C(=O)O

Molecular Weight¹

237.37

CAS

5269-44-3

• 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	0.6947		Relay (1.0) Calculated Property
ΔfG°	-76.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-450.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	2.107		Crippen Calculated Property
Pc	1932.03	kPa	Relay (1.0-beta) Calculated Property
Inp	[1542.00; 1559.00]
Inp	1559.00		NIST
Inp	1542.00		NIST
Inp	1559.00		NIST
Tboil	564.61	K	Relay (1.0) Calculated Property
Tc	784.59	K	Relay (1.0) Calculated Property
Tfus	404.92	K	Relay (1.0) Calculated Property
Vc	0.694	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenylalanine, mono-TMS.

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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