2-amino-1-phenylethanone

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational421.25kJ mol-1
Total (Trans. + Rot. + Vib.)431.17kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational117.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)150.66J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational123.71J mol-1 K-1
Vibrational106.73J mol-1 K-1
Total (Trans. + Rot. + Vib.)400.36J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-41.28kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 37.99 cm-1 View
  • 2 60.17 cm-1 View
  • 3 133.89 cm-1 View
  • 4 207.78 cm-1 View
  • 5 222.83 cm-1 View
  • 6 285.96 cm-1 View
  • 7 340.72 cm-1 View
  • 8 360.40 cm-1 View
  • 9 387.02 cm-1 View
  • 10 502.76 cm-1 View
  • 11 582.22 cm-1 View
  • 12 628.47 cm-1 View
  • 13 654.08 cm-1 View
  • 14 734.49 cm-1 View
  • 15 783.21 cm-1 View
  • 16 819.59 cm-1 View
  • 17 851.61 cm-1 View
  • 18 899.99 cm-1 View
  • 19 947.97 cm-1 View
  • 20 981.99 cm-1 View
  • 21 1001.76 cm-1 View
  • 22 1022.02 cm-1 View
  • 23 1031.24 cm-1 View
  • 24 1063.04 cm-1 View
  • 25 1090.03 cm-1 View
  • 26 1105.80 cm-1 View
  • 27 1142.96 cm-1 View
  • 28 1153.73 cm-1 View
  • 29 1159.79 cm-1 View
  • 30 1169.89 cm-1 View
  • 31 1183.29 cm-1 View
  • 32 1222.02 cm-1 View
  • 33 1309.55 cm-1 View
  • 34 1313.55 cm-1 View
  • 35 1375.46 cm-1 View
  • 36 1396.09 cm-1 View
  • 37 1538.75 cm-1 View
  • 38 1594.88 cm-1 View
  • 39 1662.49 cm-1 View
  • 40 1779.15 cm-1 View
  • 41 1795.30 cm-1 View
  • 42 1966.42 cm-1 View
  • 43 2919.59 cm-1 View
  • 44 2995.23 cm-1 View
  • 45 3042.63 cm-1 View
  • 46 3049.69 cm-1 View
  • 47 3057.94 cm-1 View
  • 48 3066.87 cm-1 View
  • 49 3078.23 cm-1 View
  • 50 3393.23 cm-1 View
  • 51 3525.14 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.48kJ mol-1
Polar Solvation Energy-20.05kJ mol-1
Nonpolar Solvation Energy22.53kJ mol-1
Surface Area125.98Å2
Charge of Molecule0
Dipole2.79Debye