Chemical Properties of Pentanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester, (DL)-

InChI

InChI=1S/C17H38O3Si2/c1-12-13-14(19-21(8,9)16(2,3)4)15(18)20-22(10,11)17(5,6)7/h14H,12-13H2,1-11H3

InChI Key

MGAXIOLXSPMIGG-UHFFFAOYSA-N

Formula

C17H38O3Si2

SMILES

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

Molecular Weight¹

346.65

Other Names

• Pentanoic acid, 2-hydroxy, TBDMS
• 2-Hydroxyvaleric acid, DMTBS
• 2-Hydroxyvaleric acid, TBDMS

• 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	0.6405		Relay (... Calculated Property
ΔfG°	-275.97	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1001.73	kJ/mol	Relay (... Calculated Property
ΔvapH°	65.36	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-3.23		Relay (... Calculated Property
logPoct/wat	5.725		Crippen Calculated Property
Pc	1370.30	kPa	Relay (... Calculated Property ⚠️
Inp	[1619.23; 1621.00]
Inp	1621.00		NIST
Inp	1619.23		NIST
Inp	1621.00		NIST
Tboil	529.70	K	Relay (... Calculated Property
Tc	739.50	K	Relay (... Calculated Property
Tfus	298.33	K	Relay (... Calculated Property
Vc	1.186	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester, (DL)-.

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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