Heptane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational581.14kJ mol-1
Total (Trans. + Rot. + Vib.)591.05kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational116.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)149.55J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.20J mol-1 K-1
Rotational119.37J mol-1 K-1
Vibrational107.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)393.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-186.87kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 61.90 cm-1 View
  • 2 87.12 cm-1 View
  • 3 96.46 cm-1 View
  • 4 149.11 cm-1 View
  • 5 198.98 cm-1 View
  • 6 204.92 cm-1 View
  • 7 301.09 cm-1 View
  • 8 350.96 cm-1 View
  • 9 398.42 cm-1 View
  • 10 438.45 cm-1 View
  • 11 508.28 cm-1 View
  • 12 768.88 cm-1 View
  • 13 822.49 cm-1 View
  • 14 838.47 cm-1 View
  • 15 870.41 cm-1 View
  • 16 925.41 cm-1 View
  • 17 958.53 cm-1 View
  • 18 973.68 cm-1 View
  • 19 999.45 cm-1 View
  • 20 1041.52 cm-1 View
  • 21 1047.83 cm-1 View
  • 22 1111.42 cm-1 View
  • 23 1120.97 cm-1 View
  • 24 1126.67 cm-1 View
  • 25 1137.15 cm-1 View
  • 26 1141.33 cm-1 View
  • 27 1151.59 cm-1 View
  • 28 1154.64 cm-1 View
  • 29 1171.88 cm-1 View
  • 30 1174.79 cm-1 View
  • 31 1191.87 cm-1 View
  • 32 1253.15 cm-1 View
  • 33 1289.80 cm-1 View
  • 34 1328.58 cm-1 View
  • 35 1358.12 cm-1 View
  • 36 1384.23 cm-1 View
  • 37 1395.08 cm-1 View
  • 38 1403.79 cm-1 View
  • 39 1408.23 cm-1 View
  • 40 1409.06 cm-1 View
  • 41 1411.22 cm-1 View
  • 42 1412.07 cm-1 View
  • 43 1412.97 cm-1 View
  • 44 1418.32 cm-1 View
  • 45 1423.24 cm-1 View
  • 46 1433.41 cm-1 View
  • 47 1470.60 cm-1 View
  • 48 2934.89 cm-1 View
  • 49 2947.78 cm-1 View
  • 50 2949.35 cm-1 View
  • 51 2950.43 cm-1 View
  • 52 2956.11 cm-1 View
  • 53 3021.70 cm-1 View
  • 54 3026.07 cm-1 View
  • 55 3031.08 cm-1 View
  • 56 3032.82 cm-1 View
  • 57 3033.68 cm-1 View
  • 58 3074.80 cm-1 View
  • 59 3077.74 cm-1 View
  • 60 3084.22 cm-1 View
  • 61 3084.78 cm-1 View
  • 62 3178.81 cm-1 View
  • 63 3180.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy25.82kJ mol-1
Polar Solvation Energy-1.15kJ mol-1
Nonpolar Solvation Energy26.96kJ mol-1
Surface Area115.52Å2
Charge of Molecule0
Dipole0.05Debye