Chemical Properties of 2-Methylbutyryl glycine, TMS # 3

InChI

InChI=1S/C13H29NO3Si2/c1-9-11(2)13(17-19(6,7)8)14-10-12(15)16-18(3,4)5/h14H,9-10H2,1-8H3/b13-11-

InChI Key

YOFKTVQKBDOOJF-QBFSEMIESA-N

Formula

C13H29NO3Si2

SMILES

CCC(C)=C(NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

303.55

• 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	0.6560		Relay (1.0) Calculated Property
ΔfG°	-193.88	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-896.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	3.447		Crippen Calculated Property
Pc	1150.01	kPa	Relay (1.0-beta) Calculated Property
Inp	[1517.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Tboil	523.67	K	Relay (1.0) Calculated Property
Tc	710.88	K	Relay (1.0) Calculated Property
Tfus	311.71	K	Relay (1.0) Calculated Property
Vc	0.998	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylbutyryl glycine, TMS # 3.

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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