Chemical Properties of Phenylpropionylglycine, TMS # 2

InChI

InChI=1S/C17H29NO3Si2/c1-8-16(20-22(2,3)4)18(15-12-10-9-11-13-15)14-17(19)21-23(5,6)7/h8-13H,14H2,1-7H3/b16-8-

InChI Key

FKCWHNSWJVLCIA-PXNMLYILSA-N

Formula

C17H29NO3Si2

SMILES

CC=C(O[Si](C)(C)C)N(CC(=O)O[Si](C)(C)C)c1ccccc1

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	0.7122		Relay (1.0) Calculated Property
ΔfG°	-37.64	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-697.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	80.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	4.584		Crippen Calculated Property
Pc	951.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	592.99	K	Relay (1.0) Calculated Property
Tc	808.79	K	Relay (1.0) Calculated Property
Tfus	329.10	K	Relay (1.0) Calculated Property
Vc	1.095	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Phenylpropionylglycine, TMS # 2.

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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