Butyl acetate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational470.58kJ mol-1
Total (Trans. + Rot. + Vib.)480.50kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational118.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)151.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.04J mol-1 K-1
Rotational121.15J mol-1 K-1
Vibrational125.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)414.34J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-456.05kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 47.35 cm-1 View
  • 2 53.13 cm-1 View
  • 3 75.87 cm-1 View
  • 4 139.01 cm-1 View
  • 5 148.34 cm-1 View
  • 6 184.69 cm-1 View
  • 7 238.19 cm-1 View
  • 8 293.33 cm-1 View
  • 9 356.42 cm-1 View
  • 10 423.59 cm-1 View
  • 11 508.22 cm-1 View
  • 12 564.52 cm-1 View
  • 13 606.67 cm-1 View
  • 14 797.50 cm-1 View
  • 15 843.92 cm-1 View
  • 16 947.74 cm-1 View
  • 17 959.72 cm-1 View
  • 18 978.04 cm-1 View
  • 19 997.11 cm-1 View
  • 20 1015.66 cm-1 View
  • 21 1019.40 cm-1 View
  • 22 1077.04 cm-1 View
  • 23 1110.25 cm-1 View
  • 24 1128.06 cm-1 View
  • 25 1136.98 cm-1 View
  • 26 1143.45 cm-1 View
  • 27 1165.25 cm-1 View
  • 28 1180.80 cm-1 View
  • 29 1266.84 cm-1 View
  • 30 1321.45 cm-1 View
  • 31 1341.62 cm-1 View
  • 32 1361.49 cm-1 View
  • 33 1379.60 cm-1 View
  • 34 1384.52 cm-1 View
  • 35 1387.55 cm-1 View
  • 36 1401.84 cm-1 View
  • 37 1407.81 cm-1 View
  • 38 1410.76 cm-1 View
  • 39 1411.11 cm-1 View
  • 40 1417.84 cm-1 View
  • 41 1429.18 cm-1 View
  • 42 1972.93 cm-1 View
  • 43 2888.86 cm-1 View
  • 44 2956.73 cm-1 View
  • 45 2963.54 cm-1 View
  • 46 2975.60 cm-1 View
  • 47 3037.04 cm-1 View
  • 48 3042.41 cm-1 View
  • 49 3044.61 cm-1 View
  • 50 3083.70 cm-1 View
  • 51 3087.78 cm-1 View
  • 52 3091.02 cm-1 View
  • 53 3169.19 cm-1 View
  • 54 3177.14 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.78kJ mol-1
Polar Solvation Energy-17.05kJ mol-1
Nonpolar Solvation Energy19.86kJ mol-1
Surface Area129.71Å2
Charge of Molecule0
Dipole2.33Debye