Chemical Properties of Hippuric acid, 4-methoxy, TMS, # 2

InChI

InChI=1S/C13H19NO4Si/c1-17-11-7-5-10(6-8-11)13(16)14-9-12(15)18-19(2,3)4/h5-8H,9H2,1-4H3,(H,14,16)

InChI Key

YWKJLCHQPZBYEL-UHFFFAOYSA-N

Formula

C13H19NO4Si

SMILES

COc1ccc(C(=O)NCC(=O)O[Si](C)(C)C)cc1

Molecular Weight¹

281.38

• 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	0.7383		Relay (1.0) Calculated Property
ΔfG°	-256.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-753.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
Pc	1539.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[2077.00; 2077.00]
Inp	2077.00		NIST
Inp	2077.00		NIST
Tboil	607.26	K	Relay (1.0) Calculated Property
Tc	814.06	K	Relay (1.0) Calculated Property
Tfus	366.15	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Hippuric acid, 4-methoxy, 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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