Chemical Properties of R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC

InChI

InChI=1S/C15H21NO4/c1-10(16(4)11(2)17)8-13-9-14(19-5)6-7-15(13)20-12(3)18/h6-7,9-10H,8H2,1-5H3

InChI Key

BQNLEYPWYPZHDH-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

COc1ccc(OC(C)=O)c(CC(C)N(C)C(C)=O)c1

Molecular Weight¹

279.33

• 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	0.7552		Relay (... Calculated Property
ΔfG°	-190.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.94	kJ/mol	Joback Calculated Property
ΔvapH°	94.70	kJ/mol	Relay (... Calculated Property
IE	7.84	eV	Relay (... Calculated Property
log10WS	-1.70		Relay (... Calculated Property
logPoct/wat	2.030		Crippen Calculated Property
McVol	223.310	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		NIST
Tboil	610.33	K	Relay (... Calculated Property
Tc	814.71	K	Relay (... Calculated Property
Tfus	358.79	K	Relay (... Calculated Property
Vc	0.806	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.37; 708.87]	J/mol×K	[743.82; 949.44]
Cp,gas	633.37	J/mol×K	743.82	Joback Calculated Property
Cp,gas	648.40	J/mol×K	778.09	Joback Calculated Property
Cp,gas	662.44	J/mol×K	812.36	Joback Calculated Property
Cp,gas	675.49	J/mol×K	846.63	Joback Calculated Property
Cp,gas	687.57	J/mol×K	880.90	Joback Calculated Property
Cp,gas	698.69	J/mol×K	915.17	Joback Calculated Property
Cp,gas	708.87	J/mol×K	949.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC.

Sources

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

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