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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8854		Relay (1.0) Calculated Property
ΔfG°	-357.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1205.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	5.742		Crippen Calculated Property
Pc	616.93	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	738.43	K	Relay (1.0) Calculated Property
Tfus	249.70	K	Relay (1.0) Calculated Property
Vc	1.356	m3/kmol	Relay (1.0) Calculated Property

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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