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

InChI

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

InChI Key

WKZYGGDDATZFAF-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

COc1cccc(CC(C)N(C)C(C)=O)c1OC(C)=O

Molecular Weight¹

279.33

• 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).
• 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
ΔfG°	-190.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.69	kJ/mol	Joback Calculated Property
ΔfusH°	32.94	kJ/mol	Joback Calculated Property
ΔvapH°	72.55	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen 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	[2115.00; 2115.00]
Inp	2115.00		NIST
Inp	2115.00		NIST
Tboil	743.82	K	Joback Calculated Property
Tc	949.44	K	Joback Calculated Property
Tfus	472.06	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback 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 2, 2AC.

Sources

• 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.