Chemical Properties of 4-Carboxyphenyl glycine, TBDMS

InChI

InChI=1S/C21H37NO4Si2/c1-20(2,3)27(7,8)25-18(23)15-22-17-13-11-16(12-14-17)19(24)26-28(9,10)21(4,5)6/h11-14,22H,15H2,1-10H3

InChI Key

ZTLISQAFYFCFIL-UHFFFAOYSA-N

Formula

C21H37NO4Si2

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNc1ccc(C(=O)O[Si](C)(C)C(C)(C)C)cc1

Molecular Weight¹

423.69

• 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	0.8719		Relay (... Calculated Property
ΔfG°	-190.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1020.09	kJ/mol	Relay (... Calculated Property
ΔvapH°	90.69	kJ/mol	Relay (... Calculated Property
IE	7.78	eV	Relay (... Calculated Property
log10WS	-4.94		Relay (... Calculated Property
logPoct/wat	5.809		Crippen Calculated Property
Pc	1268.95	kPa	Relay (... Calculated Property ⚠️
Inp	[2751.00; 2751.00]
Inp	2751.00		NIST
Inp	2751.00		NIST
Tboil	637.54	K	Relay (... Calculated Property
Tc	900.02	K	Relay (... Calculated Property
Tfus	391.39	K	Relay (... Calculated Property
Vc	1.316	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Carboxyphenyl glycine, 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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