Chemical Properties of 2-Hexenedioic acid, TMS

InChI

InChI=1S/C12H24O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7,9H,8,10H2,1-6H3/b9-7+

InChI Key

BVXJLSYCPJDQEM-VQHVLOKHSA-N

Formula

C12H24O4Si2

SMILES

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

Molecular Weight¹

288.49

Other Names

• 2-Hexenedioic acid, diTMS

• 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	0.6491		Relay (1.0) Calculated Property
ΔfG°	-388.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1029.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
Pc	1268.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[1522.00; 1522.00]
Inp	1522.00		NIST
Inp	1522.00		NIST
Tboil	514.16	K	Relay (1.0) Calculated Property
Tc	687.78	K	Relay (1.0) Calculated Property
Tfus	259.14	K	Relay (1.0) Calculated Property
Vc	0.922	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexenedioic acid, TMS.

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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