Chemical Properties of 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-

3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-

InChI
InChI=1S/C13H14F5NO3/c1-21-9-4-3-8(7-10(9)22-2)5-6-19-11(20)12(14,15)13(16,17)18/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChI Key
HMEFYKFJKZBVEA-UHFFFAOYSA-N
Formula
C13H14F5NO3
SMILES
COc1ccc(CCNC(=O)C(F)(F)C(F)(F)F)cc1OC
Molecular Weight1
327.25
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Physical Properties

Property Value Unit Source
ΔfusH° 32.33 kJ/mol Joback Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
logPoct/wat 2.560 Crippen Calculated Property
McVol 202.410 ml/mol McGowan Calculated Property
Inp [1714.00; 1714.00]   Show Hide
Inp 1714.00 NIST
Inp 1714.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [315.10; 666.60] 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 A2.44220e+01
Coefficient B1.27334e+00
Coefficient C-8.14020e-04
Coefficient D1.82860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 315.10 J/mol×K 273.00 Calculated Property
Cp,gas 381.12 J/mol×K 353.78 Calculated Property
Cp,gas 439.05 J/mol×K 434.56 Calculated Property
Cp,gas 489.46 J/mol×K 515.33 Calculated Property
Cp,gas 532.95 J/mol×K 596.11 Calculated Property
Cp,gas 570.08 J/mol×K 676.89 Calculated Property
Cp,gas 601.43 J/mol×K 757.67 Calculated Property
Cp,gas 627.58 J/mol×K 838.44 Calculated Property
Cp,gas 649.11 J/mol×K 919.22 Calculated Property
Cp,gas 666.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-. Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester. Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester. 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-. Dopamine, N-acetyl-PFP. Methylenedioxyamphetamine, N,-heptafluorobutyryl deriv.. Dopamine, N-acetyl-TFA. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, isopropyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 3,5-difluorophenyl ester. Homarylamine. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. OCTOPAMINE TRIPFP.

Find more compounds similar to 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-.

Sources

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