1-bromopropane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational251.32kJ mol-1
Total (Trans. + Rot. + Vib.)261.24kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational49.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)82.58J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational108.59J mol-1 K-1
Vibrational42.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)319.72J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-69.74kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 87.50 cm-1 View
  • 2 189.16 cm-1 View
  • 3 239.98 cm-1 View
  • 4 346.55 cm-1 View
  • 5 712.56 cm-1 View
  • 6 784.63 cm-1 View
  • 7 898.57 cm-1 View
  • 8 968.12 cm-1 View
  • 9 1012.27 cm-1 View
  • 10 1126.34 cm-1 View
  • 11 1127.34 cm-1 View
  • 12 1128.34 cm-1 View
  • 13 1152.27 cm-1 View
  • 14 1215.87 cm-1 View
  • 15 1343.17 cm-1 View
  • 16 1371.40 cm-1 View
  • 17 1406.48 cm-1 View
  • 18 1407.35 cm-1 View
  • 19 1417.95 cm-1 View
  • 20 1427.33 cm-1 View
  • 21 2957.91 cm-1 View
  • 22 3039.75 cm-1 View
  • 23 3046.84 cm-1 View
  • 24 3080.35 cm-1 View
  • 25 3086.36 cm-1 View
  • 26 3088.13 cm-1 View
  • 27 3181.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.52kJ mol-1
Polar Solvation Energy-11.53kJ mol-1
Nonpolar Solvation Energy28.05kJ mol-1
Surface Area107.87Å2
Charge of Molecule0
Dipole2.47Debye