Chemical Properties of 3-Ketoadipic acid, TMS # 2

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/h10H,11-12H2,1-9H3/b13-10-

InChI Key

IMVBPBMPWMKINR-RAXLEYEMSA-N

Formula

C15H32O5Si3

SMILES

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

Molecular Weight¹

376.67

• 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	0.7256		Relay (1.0) Calculated Property
ΔfG°	-470.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1334.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
Pc	716.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[1673.00; 1673.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Tboil	546.03	K	Relay (1.0) Calculated Property
Tc	720.21	K	Relay (1.0) Calculated Property
Tfus	288.58	K	Relay (1.0) Calculated Property
Vc	1.219	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Ketoadipic acid, TMS # 2.

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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