Chemical Properties of 3-Hydroxycaprylic acid, bis-TBDMS

InChI

InChI=1S/C20H44O3Si2/c1-12-13-14-15-17(22-24(8,9)19(2,3)4)16-18(21)23-25(10,11)20(5,6)7/h17H,12-16H2,1-11H3

InChI Key

QDFPUQHVHASPHG-UHFFFAOYSA-N

Formula

C20H44O3Si2

SMILES

CCCCCC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

388.73

• 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	0.7475		Relay (1.0) Calculated Property
ΔfG°	-238.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1067.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) Calculated Property
logPoct/wat	6.896		Crippen Calculated Property
Pc	1144.89	kPa	Relay (1.0-beta) Calculated Property
Inp	[1899.00; 1899.00]
Inp	1899.00		NIST
Inp	1899.00		NIST
Tboil	557.43	K	Relay (1.0) Calculated Property
Tc	771.67	K	Relay (1.0) Calculated Property
Tfus	279.80	K	Relay (1.0) Calculated Property
Vc	1.351	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxycaprylic acid, bis-TBDMS.

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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