Chemical Properties of anteiso-Tridecanoic acid, TMS

InChI

InChI=1S/C16H34O2Si/c1-6-15(2)13-11-9-7-8-10-12-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3

InChI Key

IHHDEEVODWBADL-UHFFFAOYSA-N

Formula

C16H34O2Si

SMILES

CCC(C)CCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

286.53

Other Names

• Dodecanoic acid, 10-methyl, trimethylsilyl ester

• ω : Acentric Factor.
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.7606		Relay (1.0) Calculated Property
ΔvapH°	79.20	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.531		Crippen Calculated Property
Pc	1024.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1717.00; 1717.00]
Inp	1717.00		NIST
Inp	1717.00		NIST
Tboil	545.26	K	Relay (1.0) Calculated Property
Tc	715.81	K	Relay (1.0) Calculated Property
Tfus	236.20	K	Relay (1.0) Calculated Property
Vc	1.034	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l 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 anteiso-Tridecanoic 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.
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