Chemical Properties of R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (bis-desmethyl-methoxy-), 2AC

InChI

InChI=1S/C13H17NO3/c1-9(14-10(2)15)8-12-6-4-5-7-13(12)17-11(3)16/h4-7,9H,8H2,1-3H3,(H,14,15)

InChI Key

WRQHUEKGFQVNQN-UHFFFAOYSA-N

Formula

C13H17NO3

SMILES

CC(=O)NC(C)Cc1ccccc1OC(C)=O

Molecular Weight¹

235.28

• 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	0.6738		Relay (... Calculated Property
ΔfG°	-114.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
ΔvapH°	89.52	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-1.83		Relay (... Calculated Property
logPoct/wat	1.679		Crippen Calculated Property
McVol	189.260	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[2065.00; 2065.00]
Inp	2065.00		NIST
Inp	2065.00		NIST
Tboil	580.07	K	Relay (... Calculated Property
Tc	799.72	K	Relay (... Calculated Property
Tfus	343.16	K	Relay (... Calculated Property
Vc	0.677	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.46; 584.64]	J/mol×K	[708.39; 922.53]
Cp,gas	514.46	J/mol×K	708.39	Joback Calculated Property
Cp,gas	528.43	J/mol×K	744.08	Joback Calculated Property
Cp,gas	541.47	J/mol×K	779.77	Joback Calculated Property
Cp,gas	553.59	J/mol×K	815.46	Joback Calculated Property
Cp,gas	564.81	J/mol×K	851.15	Joback Calculated Property
Cp,gas	575.15	J/mol×K	886.84	Joback Calculated Property
Cp,gas	584.64	J/mol×K	922.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (bis-desmethyl-methoxy-), 2AC.

Sources

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

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