Chemical Properties of Pyroglutamic acid, MO TBDMS

InChI

InChI=1S/C17H35NO3Si2/c1-16(2,3)22(7,8)20-14-12-11-13(18-14)15(19)21-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3

InChI Key

AYWIFAQPLFQPEW-UHFFFAOYSA-N

Formula

C17H35NO3Si2

SMILES

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

Molecular Weight¹

357.64

• 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	0.6295		Relay (1.0) Calculated Property
ΔfG°	-160.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-892.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	5.117		Crippen Calculated Property
Pc	1451.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[1949.00; 1949.00]
Inp	1949.00		NIST
Inp	1949.00		NIST
Tboil	561.87	K	Relay (1.0) Calculated Property
Tc	821.14	K	Relay (1.0) Calculated Property
Tfus	367.45	K	Relay (1.0) Calculated Property
Vc	1.162	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyroglutamic acid, MO 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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