Chemical Properties of 9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester (CAS 56554-42-8)

InChI

InChI=1S/C27H56O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-32(2,3)4)25-30-33(5,6)7/h15-16,26H,8-14,17-25H2,1-7H3/b16-15+

InChI Key

LPQFHKYPXYZZOR-FOCLMDBBSA-N

Formula

C27H56O4Si2

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C

Molecular Weight¹

500.90

CAS

56554-42-8

Other Names

• 2-[(Trimethylsilyl)oxy]-1-([(trimethylsilyl)oxy]methyl)ethyl 9-octadecenoate
• 9-Octadecenoic acid, 1,3-bis-(OTMS)-2-propyl ester
• Oleic acid, 1,3-bis-(OTMS) propyl ester («beta»-glyceryl oleate)
• 2-Oleoylglycerol, 2tms 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	-1319.28	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.00	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.72		Relay (1.0) Calculated Property
logPoct/wat	8.639		Crippen Calculated Property
Inp	[2744.00; 2746.00]
Inp	2746.00		NIST
Inp	2744.00		NIST
Inp	2746.00		NIST
Tboil	657.35	K	Relay (1.0) Calculated Property
Tc	813.92	K	Relay (1.0) Calculated Property
Tfus	260.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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 9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester.

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.