Chemical Properties of 2-Butenoic acid, 2-methyl-, trimethylsilyl ester, (E)- (CAS 55517-33-4)

InChI

InChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3/b7-6-

InChI Key

GZQWHCAXPCOMTD-SREVYHEPSA-N

Formula

C8H16O2Si

SMILES

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

Molecular Weight¹

172.30

CAS

55517-33-4

Other Names

• Trimethylsilyl (2E)-2-methyl-2-butenoate
• Tiglic acid, mono-TMS
• Tiglic acid, TMS
• trans-2,3-Dimethylacrylic acid, trimethylsilyl ester
• Tiglic acid, tms 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	0.4094		Relay (1.0) Calculated Property
ΔfG°	-202.52	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-549.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	50.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-1.76		Relay (1.0) Calculated Property
logPoct/wat	2.331		Crippen Calculated Property
Pc	2055.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[1008.20; 1015.00]
Inp	1014.00		NIST
Inp	1015.00		NIST
Inp	1008.20		NIST
Inp	1014.00		NIST
Tboil	433.94	K	Relay (1.0) Calculated Property
Tc	603.54	K	Relay (1.0) Calculated Property
Tfus	222.17	K	Relay (1.0) Calculated Property
Vc	0.566	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 2-methyl-, trimethylsilyl ester, (E)-.

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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