Chemical Properties of Eicosanoic acid, TMS

InChI

InChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3

InChI Key

AYSGFBVOWSXJCN-UHFFFAOYSA-N

Formula

C23H48O2Si

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

384.71

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0475		Relay (1.0) Calculated Property
ΔfH°gas	-947.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.36	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-7.85		Relay (1.0) Calculated Property
logPoct/wat	8.406		Crippen Calculated Property
Pc	360.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[2432.60; 2432.60]
Inp	2432.60		NIST
Inp	2432.60		NIST
Tboil	607.01	K	Relay (1.0) Calculated Property
Tc	784.54	K	Relay (1.0) Calculated Property
Tfus	304.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 Eicosanoic acid, 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.