Chemical Properties of 3,4-Methylenedioxy-2-methoxyamphetamine (CAS 23693-19-8)

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

209.24

CAS

23693-19-8

Other Names

• Methoxymethylenedioxyamphetamine

• 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	0.6593		Relay (... Calculated Property
ΔfG°	-19.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-373.62	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.00	kJ/mol	Joback Calculated Property
ΔvapH°	75.13	kJ/mol	Relay (... Calculated Property
IE	7.86	eV	Relay (... Calculated Property
log10WS	-1.90		Relay (... Calculated Property
logPoct/wat	1.314		Crippen Calculated Property
McVol	158.820	ml/mol	McGowan Calculated Property
Pc	3103.64	kPa	Joback Calculated Property
Inp	[1647.00; 1662.00]
Inp	1647.00		NIST
Inp	1662.00		NIST
Tboil	566.10	K	Relay (... Calculated Property
Tc	800.13	K	Relay (... Calculated Property
Tfus	348.17	K	Relay (... Calculated Property
Vc	0.597	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.40; 499.52]	J/mol×K	[652.52; 880.18]
Cp,gas	429.40	J/mol×K	652.52	Joback Calculated Property
Cp,gas	443.14	J/mol×K	690.46	Joback Calculated Property
Cp,gas	456.00	J/mol×K	728.41	Joback Calculated Property
Cp,gas	468.02	J/mol×K	766.35	Joback Calculated Property
Cp,gas	479.25	J/mol×K	804.30	Joback Calculated Property
Cp,gas	489.74	J/mol×K	842.24	Joback Calculated Property
Cp,gas	499.52	J/mol×K	880.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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