Chemical Properties of N-acetyl-3,4-methylenedioxymethcathinone

InChI

InChI=1S/C13H15NO4/c1-8(14(3)9(2)15)13(16)10-4-5-11-12(6-10)18-7-17-11/h4-6,8H,7H2,1-3H3

InChI Key

SFBOFEWMUYVYDF-UHFFFAOYSA-N

Formula

C13H15NO4

SMILES

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

Molecular Weight¹

249.26

Other Names

• N-acetylmethylone
• Methylone, Ac

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.41	kJ/mol	Joback Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.465		Crippen Calculated Property
McVol	184.270	ml/mol	McGowan Calculated Property
Inp	[1950.00; 1950.00]
Inp	1950.00		NIST
Inp	1950.00		NIST
Tboil	600.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 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	[255.16; 594.13]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.34300e+01
Coefficient B			1.28616e+00
Coefficient C			-9.06720e-04
Coefficient D			2.48120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.16	J/mol×K	273.00	Calculated Property
Cp,gas	319.09	J/mol×K	353.78	Calculated Property
Cp,gas	374.62	J/mol×K	434.56	Calculated Property
Cp,gas	422.53	J/mol×K	515.33	Calculated Property
Cp,gas	463.62	J/mol×K	596.11	Calculated Property
Cp,gas	498.67	J/mol×K	676.89	Calculated Property
Cp,gas	528.46	J/mol×K	757.67	Calculated Property
Cp,gas	553.78	J/mol×K	838.44	Calculated Property
Cp,gas	575.40	J/mol×K	919.22	Calculated Property
Cp,gas	594.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-acetyl-3,4-methylenedioxymethcathinone.

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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