Chemical Properties of 1,3-Dipalmitin trimethylsilyl ether (CAS 53212-95-6)

InChI

InChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(43-44(3,4)5)35-42-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3

InChI Key

IBCWULXGIBVHLB-UHFFFAOYSA-N

Formula

C38H76O5Si

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O[Si](C)(C)C

Molecular Weight¹

641.09

CAS

53212-95-6

Other Names

• Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1,3-propanediyl ester
• Glycerol, 1,3-dipalmitate, 2-O-TMS-
• 1,3-Dipalmitoyl-2-trimethylsilyl-glycerol
• 1,3-Dipalmitin, tms derivative

• 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.
• 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	-1658.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	164.21	kJ/mol	Relay (1.0) Calculated Property
log10WS	-10.01		Relay (1.0) Calculated Property
logPoct/wat	12.255		Crippen Calculated Property
Inp	[3934.00; 3936.00]
Inp	3936.00		NIST
Inp	3934.00		NIST
Inp	3936.00		NIST
Tboil	736.45	K	Relay (1.0) Calculated Property
Tc	883.94	K	Relay (1.0) Calculated Property
Tfus	314.82	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 1,3-Dipalmitin trimethylsilyl ether.

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.