Chemical Properties of Monocaprylin, bis(trimethylsilyl)- deriv. (CAS 1851-21-4)

InChI

InChI=1S/C17H38O4Si2/c1-8-9-10-11-12-13-17(18)19-14-16(21-23(5,6)7)15-20-22(2,3)4/h16H,8-15H2,1-7H3

InChI Key

DJRROAREVKKRCI-UHFFFAOYSA-N

Formula

C17H38O4Si2

SMILES

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

Molecular Weight¹

362.65

CAS

1851-21-4

Other Names

• Monocaprylin, bis(trimethylsilyl)
• Octanoic acid, 2,3-bis-(OTMS) propyl ester
• Octanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl caprilate)

• 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	0.8117		Relay (1.0) Calculated Property
ΔfG°	-374.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1166.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-3.39		Relay (1.0) Calculated Property
logPoct/wat	4.962		Crippen Calculated Property
Pc	785.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[1851.00; 1851.00]
Inp	1851.00		NIST
Inp	1851.00		NIST
Tboil	577.84	K	Relay (1.0) Calculated Property
Tc	717.84	K	Relay (1.0) Calculated Property
Tfus	241.92	K	Relay (1.0) Calculated Property
Vc	1.244	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Monocaprylin, bis(trimethylsilyl)- deriv..

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.