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

• Δ_fH°_gas : Enthalpy of formation 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-367.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	3.283		Crippen Calculated Property
Pc	1953.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[1579.00; 1579.00]
Inp	1579.00		NIST
Inp	1579.00		NIST
Tboil	561.10	K	Relay (1.0) Calculated Property
Tfus	285.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.