Chemical Properties of L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester (CAS 30274-77-2)

InChI

InChI=1S/C11H23NO3Si2/c1-16(2,3)12-9(7-8-10(12)13)11(14)15-17(4,5)6/h9H,7-8H2,1-6H3

InChI Key

QACGFKAUSXGLCU-UHFFFAOYSA-N

Formula

C11H23NO3Si2

SMILES

C[Si](C)(C)OC(=O)C1CCC(=O)N1[Si](C)(C)C

Molecular Weight¹

273.48

CAS

30274-77-2

Other Names

• Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester
• Pyroglutamic acid, bis(trimethylsilyl)-
• Pyroglutamic acid, di(trimethylsilyl)-
• Pyroglutamic acid, N,O-bis(trimethylsilyl)deriv.
• Trimethylsilyl 5-oxo-1-(trimethylsilyl)-2-pyrrolidinecarboxylate, (2S)-
• (2S)-2-Pyrrolidone-5-carboxylic acid, N-trimethylsilyl, trimethylsilyl ester
• Pyroglutamic acid, (N,O-TMS)
• 2-Pyrrolidone-5-carboxylic acid, N-trimethylsilyl, trimethylsilyl ester
• L-5-oxoproline, , 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.
• 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	0.5411		Relay (1.0) Calculated Property
ΔfG°	-223.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-797.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	2.190		Crippen Calculated Property
Pc	1339.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1520.70; 1524.20]
Inp	1524.20		NIST
Inp	1520.70		NIST
Tboil	550.51	K	Relay (1.0) Calculated Property
Tc	748.58	K	Relay (1.0) Calculated Property
Tfus	340.54	K	Relay (1.0) Calculated Property
Vc	0.845	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester.

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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