Chemical Properties of 3,4-Methylenedioxy-2-methoxyamphetamine

InChI

InChI=1S/C11H15NO3/c1-7(12)5-8-3-4-9-11(10(8)13-2)15-6-14-9/h3-4,7H,5-6,12H2,1-2H3

InChI Key

OSJXZWMDUMAITM-UHFFFAOYSA-N

Formula

C11H15NO3

SMILES

COc1c(CC(C)N)ccc2c1OCO2

Molecular Weight¹

209.25

Other Names

• Methoxymethylenedioxyamphetamine

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.00	kJ/mol	Joback Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
logPoct/wat	1.314		Crippen Calculated Property
McVol	158.820	ml/mol	McGowan Calculated Property
Inp	[1647.00; 1662.00]
Inp	1662.00		NIST
Inp	1647.00		NIST
Inp	1662.00		NIST
Inp	1647.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[233.71; 526.31]	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			1.06510e+01
Coefficient B			9.67440e-01
Coefficient C			-5.88080e-04
Coefficient D			1.36300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.71	J/mol×K	273.00	Calculated Property
Cp,gas	285.34	J/mol×K	353.78	Calculated Property
Cp,gas	331.19	J/mol×K	434.56	Calculated Property
Cp,gas	371.68	J/mol×K	515.33	Calculated Property
Cp,gas	407.25	J/mol×K	596.11	Calculated Property
Cp,gas	438.33	J/mol×K	676.89	Calculated Property
Cp,gas	465.34	J/mol×K	757.67	Calculated Property
Cp,gas	488.72	J/mol×K	838.44	Calculated Property
Cp,gas	508.90	J/mol×K	919.22	Calculated Property
Cp,gas	526.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Methylenedioxy-2-methoxyamphetamine.

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.
These property values are available through the Cheméo API. A free account gives you an access key.