Chemical Properties of Ethotoin (CAS 86-35-1)

InChI

InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

InChI Key

SZQIFWWUIBRPBZ-UHFFFAOYSA-N

Formula

C11H12N2O2

SMILES

CCN1C(=O)NC(c2ccccc2)C1=O

Molecular Weight¹

204.23

CAS

86-35-1

Other Names

• 2,4-Imidazolidinedione, 3-ethyl-5-phenyl-
• Hydantoin, 3-ethyl-5-phenyl-
• Accenon
• AC-695
• Peganone
• 3-Ethyl-5-phenylhydantoin
• 1-Ethyl-2,5-dioxo-4-phenylimidazolidine
• 3-Ethyl-5-phenylimidazolidin-2,4-dione
• Pegoanone
• (.+/-.)-Ethotoin

• 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).
• 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	0.5325		Relay (1.0) Calculated Property
ΔfG°	57.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-252.36	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-2.49		Relay (1.0) Calculated Property
logPoct/wat	1.299		Crippen Calculated Property
McVol	154.330	ml/mol	McGowan Calculated Property
Pc	2963.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[1790.00; 1800.00]
Inp	1790.00		NIST
Inp	1800.00		NIST
Inp	1800.00		NIST
Inp	1790.00		NIST
Tboil	584.12	K	Relay (1.0) Calculated Property
Tc	866.44	K	Relay (1.0) Calculated Property
Tfus	403.34	K	Relay (1.0) Calculated Property
Vc	0.559	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Ethotoin.

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
• McGowan Method
• NIST Webbook

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