Chemical Properties of Eicosanoic acid, 20-hydroxy, methyl ester, TMS

InChI

InChI=1S/C24H50O3Si/c1-26-24(25)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27-28(2,3)4/h5-23H2,1-4H3

InChI Key

MZIRYUHQXQMARZ-UHFFFAOYSA-N

Formula

C24H50O3Si

SMILES

COC(=O)CCCCCCCCCCCCCCCCCCCO[Si](C)(C)C

Molecular Weight¹

414.75

Other Names

• 20-hydroxyeicosanoic acid, methyl ester TMSi ether

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1047		Relay (1.0) Calculated Property
ΔfH°gas	-1073.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	8.033		Crippen Calculated Property
Pc	298.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[2665.00; 2680.00]
Inp	2680.00		NIST
Inp	2665.00		NIST
Inp	2665.00		NIST
Inp	2680.00		NIST
Tboil	629.30	K	Relay (1.0) Calculated Property
Tc	805.03	K	Relay (1.0) Calculated Property
Tfus	307.60	K	Relay (1.0) Calculated Property
Vc	1.509	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Eicosanoic acid, 20-hydroxy, methyl ester, 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.