Octanoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational627.62kJ mol-1
Total (Trans. + Rot. + Vib.)637.53kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational154.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)187.73J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.74J mol-1 K-1
Rotational128.19J mol-1 K-1
Vibrational160.10J mol-1 K-1
Total (Trans. + Rot. + Vib.)459.03J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-555.96kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 15.45 cm-1 View
  • 2 40.11 cm-1 View
  • 3 67.76 cm-1 View
  • 4 98.19 cm-1 View
  • 5 167.83 cm-1 View
  • 6 186.27 cm-1 View
  • 7 238.47 cm-1 View
  • 8 271.22 cm-1 View
  • 9 281.37 cm-1 View
  • 10 333.73 cm-1 View
  • 11 384.50 cm-1 View
  • 12 412.43 cm-1 View
  • 13 461.73 cm-1 View
  • 14 509.70 cm-1 View
  • 15 522.55 cm-1 View
  • 16 546.82 cm-1 View
  • 17 570.98 cm-1 View
  • 18 793.02 cm-1 View
  • 19 818.19 cm-1 View
  • 20 843.12 cm-1 View
  • 21 875.04 cm-1 View
  • 22 948.97 cm-1 View
  • 23 958.89 cm-1 View
  • 24 972.35 cm-1 View
  • 25 994.04 cm-1 View
  • 26 1017.91 cm-1 View
  • 27 1041.77 cm-1 View
  • 28 1055.88 cm-1 View
  • 29 1094.73 cm-1 View
  • 30 1125.89 cm-1 View
  • 31 1130.26 cm-1 View
  • 32 1131.79 cm-1 View
  • 33 1142.72 cm-1 View
  • 34 1151.41 cm-1 View
  • 35 1158.04 cm-1 View
  • 36 1178.19 cm-1 View
  • 37 1183.29 cm-1 View
  • 38 1211.48 cm-1 View
  • 39 1226.52 cm-1 View
  • 40 1250.89 cm-1 View
  • 41 1276.91 cm-1 View
  • 42 1313.46 cm-1 View
  • 43 1334.30 cm-1 View
  • 44 1358.49 cm-1 View
  • 45 1376.74 cm-1 View
  • 46 1384.78 cm-1 View
  • 47 1399.39 cm-1 View
  • 48 1404.55 cm-1 View
  • 49 1411.12 cm-1 View
  • 50 1412.29 cm-1 View
  • 51 1416.02 cm-1 View
  • 52 1419.44 cm-1 View
  • 53 1426.30 cm-1 View
  • 54 1438.12 cm-1 View
  • 55 1459.67 cm-1 View
  • 56 1978.92 cm-1 View
  • 57 2862.60 cm-1 View
  • 58 2902.23 cm-1 View
  • 59 2906.13 cm-1 View
  • 60 2930.98 cm-1 View
  • 61 2959.45 cm-1 View
  • 62 2962.13 cm-1 View
  • 63 3006.10 cm-1 View
  • 64 3017.15 cm-1 View
  • 65 3019.66 cm-1 View
  • 66 3026.06 cm-1 View
  • 67 3036.36 cm-1 View
  • 68 3040.21 cm-1 View
  • 69 3041.52 cm-1 View
  • 70 3088.56 cm-1 View
  • 71 3169.30 cm-1 View
  • 72 3853.70 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.05kJ mol-1
Polar Solvation Energy-18.66kJ mol-1
Nonpolar Solvation Energy31.73kJ mol-1
Surface Area139.88Å2
Charge of Molecule0
Dipole2.30Debye