Chemical Properties of Propanoic acid, 3-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester (CAS 82112-30-9)

InChI

InChI=1S/C15H34O3Si2/c1-14(2,3)19(7,8)17-12-11-13(16)18-20(9,10)15(4,5)6/h11-12H2,1-10H3

InChI Key

GTADNJPZLIFKDX-UHFFFAOYSA-N

Formula

C15H34O3Si2

SMILES

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

Molecular Weight¹

318.60

CAS

82112-30-9

Other Names

• 3-Hydroxypropionic acid, diTBDMS
• 3-Hydroxypropionic acid, TBDMS
• Hydracrylic acid, 2tbdms derivative

• 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	0.6278		Relay (1.0) Calculated Property
ΔfG°	-268.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-962.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	4.947		Crippen Calculated Property
Pc	1622.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[1578.00; 1580.00]
Inp	1580.00		NIST
Inp	1578.00		NIST
Tboil	525.46	K	Relay (1.0) Calculated Property
Tc	743.25	K	Relay (1.0) Calculated Property
Tfus	306.32	K	Relay (1.0) Calculated Property
Vc	1.082	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester.

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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