Chemical Properties of Glycerol, 1-caproate-3-caprinate, 2-OTMS

InChI

InChI=1S/C22H44O5Si/c1-6-8-10-11-12-13-15-17-22(24)26-19-20(27-28(3,4)5)18-25-21(23)16-14-9-7-2/h20H,6-19H2,1-5H3

InChI Key

FDQGGFJNQFONII-UHFFFAOYSA-N

Formula

C22H44O5Si

SMILES

CCCCCCCCCC(=O)OCC(COC(=O)CCCCC)O[Si](C)(C)C

Molecular Weight¹

416.67

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfH°gas	-1347.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.40	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	6.014		Crippen Calculated Property
Pc	548.73	kPa	Relay (1.0-beta) Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	629.76	K	Relay (1.0) Calculated Property
Tc	779.36	K	Relay (1.0) Calculated Property
Tfus	259.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Glycerol, 1-caproate-3-caprinate, 2-OTMS.

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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