Chemical Properties of Methylenedioxyamphetamine acetate (CAS 36209-71-9)

InChI

InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)

InChI Key

RSXXYTIHSOOFBG-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

CC(=O)NC(C)Cc1ccc2c(c1)OCO2

Molecular Weight¹

221.25

CAS

36209-71-9

Other Names

• N-Acetyl-3,4-methylenedioxyamphetamine
• 3,4-Methylenedioxyamphetamine, AC

• 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	0.6478		Relay (1.0) Calculated Property
ΔfG°	-2.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.30	kJ/mol	Joback Calculated Property
ΔvapH°	89.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	1.482		Crippen Calculated Property
McVol	168.610	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	592.49	K	Relay (1.0) Calculated Property
Tc	836.51	K	Relay (1.0) Calculated Property
Tfus	353.72	K	Relay (1.0) Calculated Property
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.49; 530.27]	J/mol×K	[679.51; 903.50]
Cp,gas	461.49	J/mol×K	679.51	Joback Calculated Property
Cp,gas	475.08	J/mol×K	716.84	Joback Calculated Property
Cp,gas	487.72	J/mol×K	754.17	Joback Calculated Property
Cp,gas	499.50	J/mol×K	791.50	Joback Calculated Property
Cp,gas	510.47	J/mol×K	828.84	Joback Calculated Property
Cp,gas	520.70	J/mol×K	866.17	Joback Calculated Property
Cp,gas	530.27	J/mol×K	903.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylenedioxyamphetamine acetate.

Sources

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

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