Oxonane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational611.91kJ mol-1
Total (Trans. + Rot. + Vib.)621.82kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational122.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)155.34J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.27J mol-1 K-1
Rotational121.04J mol-1 K-1
Vibrational79.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)369.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-263.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 119.51 cm-1 View
  • 2 145.17 cm-1 View
  • 3 247.16 cm-1 View
  • 4 260.58 cm-1 View
  • 5 276.98 cm-1 View
  • 6 333.11 cm-1 View
  • 7 367.28 cm-1 View
  • 8 422.63 cm-1 View
  • 9 468.97 cm-1 View
  • 10 510.45 cm-1 View
  • 11 544.02 cm-1 View
  • 12 609.75 cm-1 View
  • 13 764.09 cm-1 View
  • 14 772.61 cm-1 View
  • 15 840.62 cm-1 View
  • 16 862.51 cm-1 View
  • 17 883.97 cm-1 View
  • 18 940.96 cm-1 View
  • 19 976.16 cm-1 View
  • 20 986.48 cm-1 View
  • 21 993.67 cm-1 View
  • 22 1020.42 cm-1 View
  • 23 1052.95 cm-1 View
  • 24 1055.12 cm-1 View
  • 25 1073.88 cm-1 View
  • 26 1084.58 cm-1 View
  • 27 1106.82 cm-1 View
  • 28 1111.32 cm-1 View
  • 29 1120.57 cm-1 View
  • 30 1137.05 cm-1 View
  • 31 1147.48 cm-1 View
  • 32 1151.42 cm-1 View
  • 33 1162.40 cm-1 View
  • 34 1181.70 cm-1 View
  • 35 1184.13 cm-1 View
  • 36 1192.93 cm-1 View
  • 37 1199.67 cm-1 View
  • 38 1255.54 cm-1 View
  • 39 1271.90 cm-1 View
  • 40 1302.26 cm-1 View
  • 41 1328.01 cm-1 View
  • 42 1333.65 cm-1 View
  • 43 1355.07 cm-1 View
  • 44 1357.91 cm-1 View
  • 45 1371.68 cm-1 View
  • 46 1380.15 cm-1 View
  • 47 1393.19 cm-1 View
  • 48 1400.70 cm-1 View
  • 49 1410.08 cm-1 View
  • 50 1411.90 cm-1 View
  • 51 1422.73 cm-1 View
  • 52 1428.89 cm-1 View
  • 53 1466.22 cm-1 View
  • 54 2879.06 cm-1 View
  • 55 2900.50 cm-1 View
  • 56 2907.30 cm-1 View
  • 57 2937.10 cm-1 View
  • 58 2938.38 cm-1 View
  • 59 2944.97 cm-1 View
  • 60 2951.08 cm-1 View
  • 61 2957.56 cm-1 View
  • 62 3013.43 cm-1 View
  • 63 3017.45 cm-1 View
  • 64 3021.58 cm-1 View
  • 65 3026.27 cm-1 View
  • 66 3028.43 cm-1 View
  • 67 3031.77 cm-1 View
  • 68 3036.14 cm-1 View
  • 69 3044.70 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.97kJ mol-1
Polar Solvation Energy-6.45kJ mol-1
Nonpolar Solvation Energy16.43kJ mol-1
Surface Area118.10Å2
Charge of Molecule0
Dipole1.56Debye