Chemical Properties of Decanoic acid, 2,3-bis(trimethylsiloxy)propyl ester (CAS 1116-64-9)

InChI

InChI=1S/C19H42O4Si2/c1-8-9-10-11-12-13-14-15-19(20)21-16-18(23-25(5,6)7)17-22-24(2,3)4/h18H,8-17H2,1-7H3

InChI Key

XTRBTZGYEPNGOK-UHFFFAOYSA-N

Formula

C19H42O4Si2

SMILES

CCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

390.71

CAS

1116-64-9

Other Names

• Decanoic acid, 2,3-bis-(OTMS)-propyl ester
• 2,3-bis-(OTMS)-«alpha»-glyceryl caprinate
• Decanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl caprinate)
• Monocaprin, 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.
• 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	-1205.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	5.742		Crippen Calculated Property
Pc	593.91	kPa	Relay (1.0-beta) Calculated Property
Inp	[2041.00; 2041.00]
Inp	2041.00		NIST
Inp	2041.00		NIST
Tboil	596.17	K	Relay (1.0) Calculated Property
Tc	743.13	K	Relay (1.0) Calculated Property
Tfus	247.81	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 Decanoic acid, 2,3-bis(trimethylsiloxy)propyl 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

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