Chemical Properties of Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl, bis(o-methyloxime)-(E,E)- (CAS 140210-44-2)

InChI

InChI=1S/C11H20N2O2/c1-10(2)7-11(3,4)9(13-15-6)8(10)12-14-5/h7H2,1-6H3/b12-8-,13-9-

InChI Key

RECQGPOZJVAMAO-JMVBYTIWSA-N

Formula

C11H20N2O2

SMILES

CON=C1C(=NOC)C(C)(C)CC1(C)C

Molecular Weight¹

212.29

CAS

140210-44-2

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.5739		Relay (... Calculated Property
ΔfG°	155.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-123.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	58.15	kJ/mol	Relay (... Calculated Property
IE	[8.00; 8.48]	eV
IE	8.00	eV	NIST
IE	8.48	eV	NIST
log10WS	-2.99		Relay (... Calculated Property
logPoct/wat	2.447		Crippen Calculated Property
McVol	178.090	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Tboil	485.05	K	Relay (... Calculated Property
Tc	688.22	K	Relay (... Calculated Property
Tfus	329.39	K	Relay (... Calculated Property
Vc	0.637	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane-1,2-dione, 3,3,5,5-tetramethyl, bis(o-methyloxime)-(E,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
• Joback Method
• McGowan Method
• NIST Webbook

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