Chemical Properties of Benzoic acid, 2-iodo, TMS

InChI

InChI=1S/C10H13IO2Si/c1-14(2,3)13-10(12)8-6-4-5-7-9(8)11/h4-7H,1-3H3

InChI Key

IQBYEIMLYYJKHK-UHFFFAOYSA-N

Formula

C10H13IO2Si

SMILES

C[Si](C)(C)OC(=O)c1ccccc1I

Molecular Weight¹

320.20

• 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	0.4880		Relay (... Calculated Property
ΔfG°	-111.86	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-367.75	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.41	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-3.81		Relay (... Calculated Property
logPoct/wat	3.283		Crippen Calculated Property
Pc	1965.86	kPa	Relay (... Calculated Property ⚠️
Inp	[1579.00; 1579.00]
Inp	1579.00		NIST
Inp	1579.00		NIST
Tboil	561.10	K	Relay (... Calculated Property
Tc	772.59	K	Relay (... Calculated Property
Tfus	294.80	K	Relay (... Calculated Property
Vc	0.657	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-iodo, TMS.

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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