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

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
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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]   Show Hide
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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [320.32; 711.80] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.72000e+01
Coefficient B1.18680e+00
Coefficient C-5.62120e-04
Coefficient D4.99200e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 320.32 J/mol×K 273.00 Calculated Property
Cp,gas 388.92 J/mol×K 353.78 Calculated Property
Cp,gas 450.88 J/mol×K 434.56 Calculated Property
Cp,gas 506.35 J/mol×K 515.33 Calculated Property
Cp,gas 555.49 J/mol×K 596.11 Calculated Property
Cp,gas 598.46 J/mol×K 676.89 Calculated Property
Cp,gas 635.42 J/mol×K 757.67 Calculated Property
Cp,gas 666.53 J/mol×K 838.44 Calculated Property
Cp,gas 691.93 J/mol×K 919.22 Calculated Property
Cp,gas 711.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-acetyl-3,4-methylenedioxymethcathinone. Butylone M (demethylenyl, 3-O-methyl), 2Ac. Methylone M (demethylenyl, 3-O-methyl, nor), 2Ac. Butylone, Ac. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-3-methyl-oxo-), ethylated. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-oxo-), diethylated. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (oxo-). R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-3-methoxy-), ethylated. R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-3HO-), 2ET. 3',4'-Methylenedioxy-a-pyrrolidinopropiophenone. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-methyl-), TMS. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Methylone. dl-Metanephrine, N,O,O'-(tert-butyldimethylsilyl)-.

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

Sources

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