Chemical Properties of Normethylone, Ac

InChI

InChI=1S/C12H13NO4/c1-7(13-8(2)14)12(15)9-3-4-10-11(5-9)17-6-16-10/h3-5,7H,6H2,1-2H3,(H,13,14)

InChI Key

VZWRRVWZAVJEAP-UHFFFAOYSA-N

Formula

C12H13NO4

SMILES

CC(O)=NC(C)C(=O)c1ccc2c(c1)OCO2

Molecular Weight¹

235.24

• 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	0.7707		Relay (... Calculated Property
ΔfG°	-238.02	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-551.72	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.07	kJ/mol	Relay (... Calculated Property
IE	7.92	eV	Relay (... Calculated Property
log10WS	-2.19		Relay (... Calculated Property
logPoct/wat	1.963		Crippen Calculated Property
McVol	170.180	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1930.00; 1930.00]
Inp	1930.00		NIST
Inp	1930.00		NIST
Tboil	614.26	K	Relay (... Calculated Property
Tc	864.89	K	Relay (... Calculated Property
Tfus	405.92	K	Relay (... Calculated Property
Vc	0.635	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Normethylone, Ac.

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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