Chemical Properties of 2-Hydroxycaprylic acid, TBDMS

InChI

InChI=1S/C14H30O3Si/c1-7-8-9-10-11-12(15)13(16)17-18(5,6)14(2,3)4/h12,15H,7-11H2,1-6H3

InChI Key

UYMDSEGXUSBUIQ-UHFFFAOYSA-N

Formula

C14H30O3Si

SMILES

CCCCCCC(O)C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

274.47

• 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	0.7985		Relay (1.0) Calculated Property
ΔfG°	-333.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-918.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	3.866		Crippen Calculated Property
Pc	1565.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	535.16	K	Relay (1.0) Calculated Property
Tc	742.90	K	Relay (1.0) Calculated Property
Tfus	313.97	K	Relay (1.0) Calculated Property
Vc	0.914	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxycaprylic acid, 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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