Heptane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational580.67kJ mol-1
Total (Trans. + Rot. + Vib.)590.58kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational116.32J mol-1 K-1
Total (Trans. + Rot. + Vib.)149.58J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.20J mol-1 K-1
Rotational118.67J mol-1 K-1
Vibrational111.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)395.89J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-184.69kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 48.76 cm-1 View
  • 2 68.48 cm-1 View
  • 3 95.49 cm-1 View
  • 4 153.98 cm-1 View
  • 5 168.20 cm-1 View
  • 6 281.80 cm-1 View
  • 7 298.78 cm-1 View
  • 8 313.75 cm-1 View
  • 9 395.77 cm-1 View
  • 10 450.36 cm-1 View
  • 11 525.25 cm-1 View
  • 12 786.35 cm-1 View
  • 13 812.19 cm-1 View
  • 14 835.75 cm-1 View
  • 15 864.01 cm-1 View
  • 16 924.39 cm-1 View
  • 17 958.29 cm-1 View
  • 18 987.00 cm-1 View
  • 19 1001.49 cm-1 View
  • 20 1017.08 cm-1 View
  • 21 1045.54 cm-1 View
  • 22 1073.23 cm-1 View
  • 23 1114.60 cm-1 View
  • 24 1124.35 cm-1 View
  • 25 1126.54 cm-1 View
  • 26 1143.30 cm-1 View
  • 27 1149.82 cm-1 View
  • 28 1155.93 cm-1 View
  • 29 1167.45 cm-1 View
  • 30 1175.76 cm-1 View
  • 31 1193.74 cm-1 View
  • 32 1256.53 cm-1 View
  • 33 1306.34 cm-1 View
  • 34 1321.66 cm-1 View
  • 35 1353.50 cm-1 View
  • 36 1389.14 cm-1 View
  • 37 1393.17 cm-1 View
  • 38 1402.37 cm-1 View
  • 39 1405.97 cm-1 View
  • 40 1407.99 cm-1 View
  • 41 1410.84 cm-1 View
  • 42 1411.50 cm-1 View
  • 43 1413.60 cm-1 View
  • 44 1417.00 cm-1 View
  • 45 1422.11 cm-1 View
  • 46 1426.00 cm-1 View
  • 47 1468.82 cm-1 View
  • 48 2934.17 cm-1 View
  • 49 2947.57 cm-1 View
  • 50 2949.26 cm-1 View
  • 51 2950.62 cm-1 View
  • 52 2952.73 cm-1 View
  • 53 3020.39 cm-1 View
  • 54 3022.30 cm-1 View
  • 55 3030.86 cm-1 View
  • 56 3032.91 cm-1 View
  • 57 3033.88 cm-1 View
  • 58 3073.38 cm-1 View
  • 59 3073.65 cm-1 View
  • 60 3083.54 cm-1 View
  • 61 3083.71 cm-1 View
  • 62 3177.36 cm-1 View
  • 63 3179.16 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy21.29kJ mol-1
Polar Solvation Energy-0.81kJ mol-1
Nonpolar Solvation Energy22.11kJ mol-1
Surface Area112.50Å2
Charge of Molecule0
Dipole0.03Debye