Chemical Properties of 3-PHENYLPROPIONYLGLYCINE diTMS

InChI

InChI=1S/C17H29NO3Si2/c1-22(2,3)20-16(13-12-15-10-8-7-9-11-15)18-14-17(19)21-23(4,5)6/h7-11H,12-14H2,1-6H3

InChI Key

YFGNJEXEONMACH-UHFFFAOYSA-N

Formula

C17H29NO3Si2

SMILES

C[Si](C)(C)OC(=O)CN=C(CCc1ccccc1)O[Si](C)(C)C

Molecular Weight¹

351.59

• 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	0.7390		Relay (1.0) Calculated Property
ΔfG°	-80.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-712.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
Pc	1028.47	kPa	Relay (1.0-beta) Calculated Property
Inp	[1950.00; 1950.00]
Inp	1950.00		NIST
Inp	1950.00		NIST
Tboil	603.59	K	Relay (1.0) Calculated Property
Tc	794.42	K	Relay (1.0) Calculated Property
Tfus	297.51	K	Relay (1.0) Calculated Property
Vc	1.112	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-PHENYLPROPIONYLGLYCINE diTMS.

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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