Chemical Properties of Lauric acid, 2,3-bis(trimethylsiloxy)propyl ester (CAS 1116-65-0)

InChI

InChI=1S/C21H46O4Si2/c1-8-9-10-11-12-13-14-15-16-17-21(22)23-18-20(25-27(5,6)7)19-24-26(2,3)4/h20H,8-19H2,1-7H3

InChI Key

FPYKFOLJVLTPBS-UHFFFAOYSA-N

Formula

C21H46O4Si2

SMILES

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

Molecular Weight¹

418.76

CAS

1116-65-0

Other Names

• Dodecanoic acid, 2,3-bis-(OTMS) propyl ester
• 2,3-bis-(OTMS)-«alpha»-glyceryl laurate
• Dodecanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl laurate)
• Monolaurin, 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	0.9570		Relay (... Calculated Property
ΔfG°	-339.66	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1244.22	kJ/mol	Relay (... Calculated Property
ΔvapH°	89.93	kJ/mol	Relay (... Calculated Property
IE	9.62	eV	Relay (... Calculated Property
log10WS	-4.89		Relay (... Calculated Property
logPoct/wat	6.522		Crippen Calculated Property
Pc	451.14	kPa	Relay (... Calculated Property ⚠️
Inp	[2226.00; 2227.00]
Inp	2227.00		NIST
Inp	2226.00		NIST
Tboil	612.83	K	Relay (... Calculated Property
Tc	758.07	K	Relay (... Calculated Property
Tfus	257.88	K	Relay (... Calculated Property
Vc	1.467	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Lauric 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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