2,4-dimethylphenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational439.00kJ mol-1
Total (Trans. + Rot. + Vib.)448.92kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational113.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)147.17J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.67J mol-1 K-1
Rotational120.81J mol-1 K-1
Vibrational95.85J mol-1 K-1
Total (Trans. + Rot. + Vib.)385.32J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-167.63kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 77.77 cm-1 View
  • 2 78.76 cm-1 View
  • 3 121.71 cm-1 View
  • 4 186.63 cm-1 View
  • 5 309.67 cm-1 View
  • 6 322.33 cm-1 View
  • 7 362.24 cm-1 View
  • 8 425.63 cm-1 View
  • 9 451.87 cm-1 View
  • 10 459.37 cm-1 View
  • 11 515.30 cm-1 View
  • 12 549.03 cm-1 View
  • 13 589.28 cm-1 View
  • 14 698.07 cm-1 View
  • 15 762.12 cm-1 View
  • 16 849.36 cm-1 View
  • 17 886.89 cm-1 View
  • 18 905.90 cm-1 View
  • 19 970.64 cm-1 View
  • 20 994.73 cm-1 View
  • 21 1009.67 cm-1 View
  • 22 1031.14 cm-1 View
  • 23 1038.96 cm-1 View
  • 24 1082.67 cm-1 View
  • 25 1133.86 cm-1 View
  • 26 1191.98 cm-1 View
  • 27 1209.39 cm-1 View
  • 28 1293.74 cm-1 View
  • 29 1317.13 cm-1 View
  • 30 1376.01 cm-1 View
  • 31 1383.69 cm-1 View
  • 32 1394.27 cm-1 View
  • 33 1396.59 cm-1 View
  • 34 1408.37 cm-1 View
  • 35 1428.15 cm-1 View
  • 36 1496.82 cm-1 View
  • 37 1543.24 cm-1 View
  • 38 1602.98 cm-1 View
  • 39 1646.32 cm-1 View
  • 40 1792.48 cm-1 View
  • 41 1811.73 cm-1 View
  • 42 3046.40 cm-1 View
  • 43 3050.85 cm-1 View
  • 44 3053.19 cm-1 View
  • 45 3069.09 cm-1 View
  • 46 3070.19 cm-1 View
  • 47 3072.20 cm-1 View
  • 48 3076.70 cm-1 View
  • 49 3162.96 cm-1 View
  • 50 3170.20 cm-1 View
  • 51 3850.30 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.36kJ mol-1
Polar Solvation Energy-12.44kJ mol-1
Nonpolar Solvation Energy17.81kJ mol-1
Surface Area116.53Å2
Charge of Molecule0
Dipole1.80Debye