2-methylbuta-1,3-diene
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 303.18 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 313.10 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 64.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.79 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.38 | J mol-1 K-1 |
| Rotational | 106.80 | J mol-1 K-1 |
| Vibrational | 51.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 319.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 94.70 | kJ mol-1 |
Molecular Orbitals
- 1 -300.47 eV View
- 2 -300.32 eV View
- 3 -300.09 eV View
- 4 -299.69 eV View
- 5 -299.53 eV View
- 6 -28.71 eV View
- 7 -25.95 eV View
- 8 -24.22 eV View
- 9 -20.85 eV View
- 10 -18.19 eV View
- 11 -16.45 eV View
- 12 -15.82 eV View
- 13 -14.72 eV View
- 14 -13.94 eV View
- 15 -13.34 eV View
- 16 -12.75 eV View
- 17 -11.61 eV View
- 18 -10.28 eV View
- 19 -7.08 eV View
- 20 6.77 eV View
- 21 11.26 eV View
- 22 15.97 eV View
- 23 17.21 eV View
- 24 18.32 eV View
- 25 18.86 eV View
- 26 18.97 eV View
- 27 19.63 eV View
- 28 20.18 eV View
- 29 20.59 eV View
- 30 24.00 eV View
- 31 25.27 eV View
- 32 27.91 eV View
- 33 29.80 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 59.99 cm-1 View
- 2 171.72 cm-1 View
- 3 312.89 cm-1 View
- 4 416.15 cm-1 View
- 5 452.19 cm-1 View
- 6 536.35 cm-1 View
- 7 594.42 cm-1 View
- 8 701.20 cm-1 View
- 9 898.59 cm-1 View
- 10 930.30 cm-1 View
- 11 955.86 cm-1 View
- 12 976.50 cm-1 View
- 13 1002.21 cm-1 View
- 14 1019.07 cm-1 View
- 15 1044.32 cm-1 View
- 16 1045.61 cm-1 View
- 17 1223.58 cm-1 View
- 18 1320.43 cm-1 View
- 19 1334.56 cm-1 View
- 20 1373.29 cm-1 View
- 21 1399.68 cm-1 View
- 22 1410.92 cm-1 View
- 23 1478.61 cm-1 View
- 24 1837.68 cm-1 View
- 25 1875.93 cm-1 View
- 26 3023.14 cm-1 View
- 27 3069.03 cm-1 View
- 28 3074.30 cm-1 View
- 29 3133.70 cm-1 View
- 30 3138.58 cm-1 View
- 31 3140.78 cm-1 View
- 32 3146.24 cm-1 View
- 33 3168.55 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.64 | kJ mol-1 |
| Polar Solvation Energy | -3.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.67 | kJ mol-1 |
| Surface Area | 88.56 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.24 | Debye |