Chemical Properties of N,O-Bis-(trimethylsilyl)phenylalanine (CAS 2899-52-7)

InChI

InChI=1S/C15H27NO2Si2/c1-19(2,3)16-14(15(17)18-20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14,16H,12H2,1-6H3

InChI Key

DWNFNBPPSFIIBG-UHFFFAOYSA-N

Formula

C15H27NO2Si2

SMILES

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

Molecular Weight¹

309.55

CAS

2899-52-7

Other Names

• DL-Phenylalanine, N-(trimethylsilyl)-, trimethylsilyl ester
• Phe, bis-TMS
• Phenylalanine, di-TMS
• Phenylalanine (N,O-TMS)
• Phenylalanine, bis-TMS
• Phe, TMS
• Phenylalanine, TMS
• Phenylalanine, 2tms derivative

• 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.
• I : 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	0.5915		Relay (1.0) Calculated Property
ΔfG°	-29.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-576.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	3.400		Crippen Calculated Property
Pc	1108.26	kPa	Relay (1.0-beta) Calculated Property
Inp	[1621.50; 1649.00]
Inp	1622.47		NIST
Inp	1624.82		NIST
Inp	1635.10		NIST
Inp	1624.42		NIST
Inp	1640.06		NIST
Inp	1622.30		NIST
Inp	Outlier 1649.00		NIST
Inp	1640.00		NIST
Inp	1625.00		NIST
Inp	1625.00		NIST
Inp	1621.50		NIST
Inp	1632.00		NIST
Inp	1636.00		NIST
Inp	1636.00		NIST
Inp	1640.00		NIST
Inp	1621.50		NIST
Inp	1624.42		NIST
I	[1863.65; 1863.83]
I	1863.65		NIST
I	1863.83		NIST
I	1863.65		NIST
Tboil	559.36	K	Relay (1.0) Calculated Property
Tc	768.01	K	Relay (1.0) Calculated Property
Tfus	307.65	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N,O-Bis-(trimethylsilyl)phenylalanine.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.