Chemical Properties of trans-3-Hexenedioic acid, bis(trimethylsilyl) ester

InChI

InChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+

InChI Key

ZHDWBZJDVFQQQO-BQYQJAHWSA-N

Formula

C12H24O4Si2

SMILES

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

Molecular Weight¹

288.49

Other Names

• trans-3-Hydromuconic acid, TMS
• trans-3-Hexenedioic acid, TMS
• trans-3-Dihydromuconic acid, TMS
• 3-Hexenedioic acid, (e)-, 2tms 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	0.6013		Relay (1.0) Calculated Property
ΔfG°	-363.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1049.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-2.46		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
Pc	1262.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[1503.00; 1510.00]
Inp	1506.00		NIST
Inp	1503.00		NIST
Inp	1510.00		NIST
Inp	1503.00		NIST
Tboil	516.02	K	Relay (1.0) Calculated Property
Tc	678.72	K	Relay (1.0) Calculated Property
Tfus	271.19	K	Relay (1.0) Calculated Property
Vc	0.915	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Hexenedioic acid, bis(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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