Chemical Properties of Methylone M (demethylenyl, 3-O-methyl), 2Ac

InChI

InChI=1S/C15H19NO5/c1-9(16(4)10(2)17)15(19)12-6-7-13(21-11(3)18)14(8-12)20-5/h6-9H,1-5H3

InChI Key

IDTQPTVNIJKOCS-UHFFFAOYSA-N

Formula

C15H19NO5

SMILES

COc1cc(C(=O)C(C)N(C)C(C)=O)ccc1OC(C)=O

Molecular Weight¹

293.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.7804		Relay (1.0) Calculated Property
ΔfG°	-319.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-796.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.54	kJ/mol	Joback Calculated Property
ΔvapH°	92.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-1.36		Relay (1.0) Calculated Property
logPoct/wat	1.670		Crippen Calculated Property
McVol	224.880	ml/mol	McGowan Calculated Property
Pc	2073.65	kPa	Joback Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	609.81	K	Relay (1.0) Calculated Property
Tc	834.85	K	Relay (1.0) Calculated Property
Tfus	395.76	K	Relay (1.0) Calculated Property
Vc	0.811	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.88; 713.36]	J/mol×K	[797.69; 1009.68]
Cp,gas	648.88	J/mol×K	797.69	Joback Calculated Property
Cp,gas	662.21	J/mol×K	833.02	Joback Calculated Property
Cp,gas	674.48	J/mol×K	868.35	Joback Calculated Property
Cp,gas	685.73	J/mol×K	903.69	Joback Calculated Property
Cp,gas	695.95	J/mol×K	939.02	Joback Calculated Property
Cp,gas	705.15	J/mol×K	974.35	Joback Calculated Property
Cp,gas	713.36	J/mol×K	1009.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylone M (demethylenyl, 3-O-methyl), 2Ac.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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