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

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
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Physical Properties

Property Value Unit Source
ΔfH°gas -551.30 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.62 kJ/mol Joback Calculated Property
ΔvapH° 90.74 kJ/mol Relay (1.0) Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
log10WS -1.83 Relay (1.0) Calculated Property
logPoct/wat 1.679 Crippen Calculated Property
McVol 189.260 ml/mol McGowan Calculated Property
Inp [2065.00; 2065.00]   Show Hide
Inp 2065.00 NIST
Inp 2065.00 NIST
Tboil 580.07 K Relay (1.0) Calculated Property
Tfus 336.92 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [259.69; 603.00] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.34100e+00
Coefficient B1.09976e+00
Coefficient C-5.86060e-04
Coefficient D8.79600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.69 J/mol×K 273.00 Calculated Property
Cp,gas 320.96 J/mol×K 353.78 Calculated Property
Cp,gas 375.80 J/mol×K 434.56 Calculated Property
Cp,gas 424.48 J/mol×K 515.33 Calculated Property
Cp,gas 467.30 J/mol×K 596.11 Calculated Property
Cp,gas 504.52 J/mol×K 676.89 Calculated Property
Cp,gas 536.42 J/mol×K 757.67 Calculated Property
Cp,gas 563.28 J/mol×K 838.44 Calculated Property
Cp,gas 585.38 J/mol×K 919.22 Calculated Property
Cp,gas 603.00 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fenproporex-M (N-desalkyl-HO-methoxy-), 2AC. Acetamide, N-[1-(3-acetoxyphenyl)-2-propyl]-. Acetamide, n-(p-hydroxy-alpha-methylphenethyl)-, acetate. Acetamide, N-(p-hydroxy-«alpha»-methylphenethyl)-, acetate (ester). Ethylamphetamine-M (di-HO-), 3AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC. Ethylamphetamine-M (HO-methoxy-), 2AC. Fenproporex-M (di-HO-), 3AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 2, 2AC. Methoxyphenamine. Fenproporex-M (HO-methoxy-), 2AC. Mephedrone M (nor-dihydro), threo, 2Ac. Mephedrone M (nor-dihydro), erythro, 2Ac. Phenylpropanolamine, n,o-bis(heptafluorobutyryl) deriv..

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

Sources

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