Heptanal

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational531.79kJ mol-1
Total (Trans. + Rot. + Vib.)541.70kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational123.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)156.62J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.83J mol-1 K-1
Rotational122.26J mol-1 K-1
Vibrational132.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)422.82J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-293.80kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 53.60 cm-1 View
  • 2 61.86 cm-1 View
  • 3 100.40 cm-1 View
  • 4 101.53 cm-1 View
  • 5 115.93 cm-1 View
  • 6 130.65 cm-1 View
  • 7 197.77 cm-1 View
  • 8 217.25 cm-1 View
  • 9 304.62 cm-1 View
  • 10 414.96 cm-1 View
  • 11 492.84 cm-1 View
  • 12 668.58 cm-1 View
  • 13 721.05 cm-1 View
  • 14 764.23 cm-1 View
  • 15 807.73 cm-1 View
  • 16 876.74 cm-1 View
  • 17 942.99 cm-1 View
  • 18 956.09 cm-1 View
  • 19 988.29 cm-1 View
  • 20 1004.66 cm-1 View
  • 21 1060.08 cm-1 View
  • 22 1093.31 cm-1 View
  • 23 1117.82 cm-1 View
  • 24 1118.91 cm-1 View
  • 25 1130.04 cm-1 View
  • 26 1131.83 cm-1 View
  • 27 1136.64 cm-1 View
  • 28 1150.98 cm-1 View
  • 29 1155.18 cm-1 View
  • 30 1163.59 cm-1 View
  • 31 1168.57 cm-1 View
  • 32 1211.47 cm-1 View
  • 33 1227.77 cm-1 View
  • 34 1262.79 cm-1 View
  • 35 1332.90 cm-1 View
  • 36 1371.67 cm-1 View
  • 37 1380.60 cm-1 View
  • 38 1386.04 cm-1 View
  • 39 1407.24 cm-1 View
  • 40 1408.80 cm-1 View
  • 41 1411.20 cm-1 View
  • 42 1413.10 cm-1 View
  • 43 1420.41 cm-1 View
  • 44 1429.05 cm-1 View
  • 45 1437.99 cm-1 View
  • 46 1983.15 cm-1 View
  • 47 2927.82 cm-1 View
  • 48 2937.20 cm-1 View
  • 49 2942.78 cm-1 View
  • 50 2950.10 cm-1 View
  • 51 2958.45 cm-1 View
  • 52 2960.97 cm-1 View
  • 53 3024.70 cm-1 View
  • 54 3027.22 cm-1 View
  • 55 3030.80 cm-1 View
  • 56 3034.08 cm-1 View
  • 57 3036.68 cm-1 View
  • 58 3078.91 cm-1 View
  • 59 3084.86 cm-1 View
  • 60 3181.73 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy14.06kJ mol-1
Polar Solvation Energy-15.08kJ mol-1
Nonpolar Solvation Energy29.13kJ mol-1
Surface Area121.84Å2
Charge of Molecule0
Dipole3.11Debye