2,2-dimethylhexane ethane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational801.82kJ mol-1
Total (Trans. + Rot. + Vib.)811.73kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational208.69J mol-1 K-1
Total (Trans. + Rot. + Vib.)241.95J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.57J mol-1 K-1
Rotational129.27J mol-1 K-1
Vibrational240.85J mol-1 K-1
Total (Trans. + Rot. + Vib.)540.68J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation79.47kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 27.93 cm-1 View
  • 2 39.41 cm-1 View
  • 3 58.01 cm-1 View
  • 4 65.28 cm-1 View
  • 5 79.22 cm-1 View
  • 6 95.90 cm-1 View
  • 7 111.11 cm-1 View
  • 8 125.36 cm-1 View
  • 9 159.79 cm-1 View
  • 10 169.50 cm-1 View
  • 11 185.71 cm-1 View
  • 12 216.22 cm-1 View
  • 13 218.51 cm-1 View
  • 14 235.13 cm-1 View
  • 15 304.80 cm-1 View
  • 16 329.31 cm-1 View
  • 17 342.99 cm-1 View
  • 18 394.27 cm-1 View
  • 19 413.17 cm-1 View
  • 20 448.05 cm-1 View
  • 21 500.09 cm-1 View
  • 22 541.17 cm-1 View
  • 23 653.31 cm-1 View
  • 24 685.72 cm-1 View
  • 25 882.53 cm-1 View
  • 26 892.99 cm-1 View
  • 27 897.45 cm-1 View
  • 28 910.00 cm-1 View
  • 29 952.47 cm-1 View
  • 30 960.34 cm-1 View
  • 31 962.24 cm-1 View
  • 32 966.91 cm-1 View
  • 33 968.93 cm-1 View
  • 34 989.03 cm-1 View
  • 35 1009.31 cm-1 View
  • 36 1020.23 cm-1 View
  • 37 1097.22 cm-1 View
  • 38 1119.52 cm-1 View
  • 39 1124.32 cm-1 View
  • 40 1128.83 cm-1 View
  • 41 1141.39 cm-1 View
  • 42 1144.71 cm-1 View
  • 43 1173.57 cm-1 View
  • 44 1268.68 cm-1 View
  • 45 1304.64 cm-1 View
  • 46 1312.49 cm-1 View
  • 47 1324.94 cm-1 View
  • 48 1333.78 cm-1 View
  • 49 1359.74 cm-1 View
  • 50 1364.99 cm-1 View
  • 51 1388.09 cm-1 View
  • 52 1391.20 cm-1 View
  • 53 1397.32 cm-1 View
  • 54 1398.62 cm-1 View
  • 55 1400.79 cm-1 View
  • 56 1402.57 cm-1 View
  • 57 1404.46 cm-1 View
  • 58 1405.38 cm-1 View
  • 59 1405.55 cm-1 View
  • 60 1408.15 cm-1 View
  • 61 1409.27 cm-1 View
  • 62 1412.12 cm-1 View
  • 63 1414.15 cm-1 View
  • 64 1415.58 cm-1 View
  • 65 1418.09 cm-1 View
  • 66 1438.63 cm-1 View
  • 67 1456.55 cm-1 View
  • 68 1518.79 cm-1 View
  • 69 2903.75 cm-1 View
  • 70 2913.17 cm-1 View
  • 71 2978.22 cm-1 View
  • 72 2991.27 cm-1 View
  • 73 3028.20 cm-1 View
  • 74 3048.84 cm-1 View
  • 75 3065.35 cm-1 View
  • 76 3075.63 cm-1 View
  • 77 3078.30 cm-1 View
  • 78 3079.72 cm-1 View
  • 79 3080.27 cm-1 View
  • 80 3081.33 cm-1 View
  • 81 3081.61 cm-1 View
  • 82 3085.69 cm-1 View
  • 83 3089.78 cm-1 View
  • 84 3099.55 cm-1 View
  • 85 3163.96 cm-1 View
  • 86 3167.78 cm-1 View
  • 87 3171.20 cm-1 View
  • 88 3171.43 cm-1 View
  • 89 3177.17 cm-1 View
  • 90 3193.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy35.39kJ mol-1
Polar Solvation Energy-10.28kJ mol-1
Nonpolar Solvation Energy45.69kJ mol-1
Surface Area138.62Å2
Charge of Molecule0
Dipole2.39Debye