Chemical Properties of Pentenoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 72101-11-2)

InChI

InChI=1S/C11H24O3Si2/c1-10(13-15(2,3)4)8-9-11(12)14-16(5,6)7/h8H,9H2,1-7H3/b10-8-

InChI Key

QZDHQSBCOALOEZ-NTMALXAHSA-N

Formula

C11H24O3Si2

SMILES

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

Molecular Weight¹

260.48

CAS

72101-11-2

Other Names

• Levulinic acid enol di-TMS
• Levulinic acid, TMS

• 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	0.5224		Relay (1.0) Calculated Property
ΔfG°	-274.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-861.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	3.510		Crippen Calculated Property
Pc	1334.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[1279.00; 1279.00]
Inp	1279.00		NIST
Inp	1279.00		NIST
Tboil	490.04	K	Relay (1.0) Calculated Property
Tc	657.11	K	Relay (1.0) Calculated Property
Tfus	259.57	K	Relay (1.0) Calculated Property
Vc	0.867	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pentenoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl 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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