Chemical Properties of 3-Ketoadipic acid, enol, tri-TMS (CAS 72378-92-8)

InChI

InChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h12H,10-11H2,1-9H3/b13-12-

InChI Key

MZWJNCLLARMEMP-SEYXRHQNSA-N

Formula

C15H32O5Si3

SMILES

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

Molecular Weight¹

376.67

CAS

72378-92-8

Other Names

• 3-Hydroxyhex-2-enedioic acid, trimethylsilyl ether, bis(trimethylsilyl) ester

• 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	0.7672		Relay (1.0) Calculated Property
ΔfG°	-487.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1351.81	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
Pc	730.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[1704.30; 1739.00]
Inp	1739.00		NIST
Inp	1704.30		NIST
Inp	1704.30		NIST
Inp	1739.00		NIST
Tboil	549.56	K	Relay (1.0) Calculated Property
Tc	719.30	K	Relay (1.0) Calculated Property
Tfus	296.82	K	Relay (1.0) Calculated Property
Vc	1.226	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Ketoadipic acid, enol, tri-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.