Chemical Properties of 3-Hydroxyisovaleric acid, mono-TBDMS # 1

InChI

InChI=1S/C11H24O3Si/c1-10(2,3)15(6,7)14-9(12)8-11(4,5)13/h13H,8H2,1-7H3

InChI Key

NZOJIQQDAWCDIZ-UHFFFAOYSA-N

Formula

C11H24O3Si

SMILES

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

Molecular Weight¹

232.39

• 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	0.7074		Relay (1.0) Calculated Property
ΔfG°	-356.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-884.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	2.696		Crippen Calculated Property
Pc	1918.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[1255.00; 1255.00]
Inp	1255.00		NIST
Inp	1255.00		NIST
Tboil	490.69	K	Relay (1.0) Calculated Property
Tc	703.90	K	Relay (1.0) Calculated Property
Tfus	341.10	K	Relay (1.0) Calculated Property
Vc	0.764	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxyisovaleric acid, mono-TBDMS # 1.

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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