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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.12	kJ/mol	Joback Calculated Property
logPoct/wat	1.670		Crippen Calculated Property
McVol	224.880	ml/mol	McGowan Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	609.81	K	Relay (1.0) Calculated Property
Tfus	383.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.53; 709.61]	J/mol×K	[779.82; 989.87]
Cp,gas	644.53	J/mol×K	779.82	Joback Calculated Property
Cp,gas	658.03	J/mol×K	814.83	Joback Calculated Property
Cp,gas	670.45	J/mol×K	849.84	Joback Calculated Property
Cp,gas	681.81	J/mol×K	884.84	Joback Calculated Property
Cp,gas	692.11	J/mol×K	919.85	Joback Calculated Property
Cp,gas	701.37	J/mol×K	954.86	Joback Calculated Property
Cp,gas	709.61	J/mol×K	989.87	Joback Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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