(e)-but-2-ene azane azane
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 | 503.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 513.26 | 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 | 151.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 184.53 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.88 | J mol-1 K-1 |
| Rotational | 120.67 | J mol-1 K-1 |
| Vibrational | 241.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 526.99 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.60 | kJ mol-1 |
Molecular Orbitals
- 1 -416.24 eV View
- 2 -416.20 eV View
- 3 -300.72 eV View
- 4 -300.69 eV View
- 5 -300.13 eV View
- 6 -300.11 eV View
- 7 -29.69 eV View
- 8 -29.67 eV View
- 9 -28.46 eV View
- 10 -26.02 eV View
- 11 -22.92 eV View
- 12 -19.49 eV View
- 13 -15.93 eV View
- 14 -15.87 eV View
- 15 -15.74 eV View
- 16 -15.71 eV View
- 17 -15.68 eV View
- 18 -15.62 eV View
- 19 -14.98 eV View
- 20 -14.54 eV View
- 21 -13.52 eV View
- 22 -12.77 eV View
- 23 -12.25 eV View
- 24 -9.48 eV View
- 25 -9.46 eV View
- 26 -8.23 eV View
- 27 8.30 eV View
- 28 15.74 eV View
- 29 17.22 eV View
- 30 17.78 eV View
- 31 18.05 eV View
- 32 18.58 eV View
- 33 19.04 eV View
- 34 19.17 eV View
- 35 19.30 eV View
- 36 19.61 eV View
- 37 19.65 eV View
- 38 20.41 eV View
- 39 20.48 eV View
- 40 20.57 eV View
- 41 21.05 eV View
- 42 21.14 eV View
- 43 25.45 eV View
- 44 28.51 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 15.72 cm-1 View
- 2 26.12 cm-1 View
- 3 34.40 cm-1 View
- 4 69.26 cm-1 View
- 5 84.77 cm-1 View
- 6 96.75 cm-1 View
- 7 106.23 cm-1 View
- 8 116.06 cm-1 View
- 9 125.23 cm-1 View
- 10 137.49 cm-1 View
- 11 146.36 cm-1 View
- 12 151.36 cm-1 View
- 13 156.47 cm-1 View
- 14 173.51 cm-1 View
- 15 243.73 cm-1 View
- 16 311.64 cm-1 View
- 17 534.74 cm-1 View
- 18 818.19 cm-1 View
- 19 922.20 cm-1 View
- 20 940.61 cm-1 View
- 21 986.18 cm-1 View
- 22 991.65 cm-1 View
- 23 1045.97 cm-1 View
- 24 1152.10 cm-1 View
- 25 1200.09 cm-1 View
- 26 1237.58 cm-1 View
- 27 1246.35 cm-1 View
- 28 1386.66 cm-1 View
- 29 1393.69 cm-1 View
- 30 1395.90 cm-1 View
- 31 1396.77 cm-1 View
- 32 1402.49 cm-1 View
- 33 1408.27 cm-1 View
- 34 1411.69 cm-1 View
- 35 1437.49 cm-1 View
- 36 1755.14 cm-1 View
- 37 1756.19 cm-1 View
- 38 1757.52 cm-1 View
- 39 1760.34 cm-1 View
- 40 1887.06 cm-1 View
- 41 3030.44 cm-1 View
- 42 3032.74 cm-1 View
- 43 3065.21 cm-1 View
- 44 3068.93 cm-1 View
- 45 3072.93 cm-1 View
- 46 3075.17 cm-1 View
- 47 3164.41 cm-1 View
- 48 3168.62 cm-1 View
- 49 3434.88 cm-1 View
- 50 3436.37 cm-1 View
- 51 3453.91 cm-1 View
- 52 3460.05 cm-1 View
- 53 3647.95 cm-1 View
- 54 3650.12 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.74 | kJ mol-1 |
| Polar Solvation Energy | -18.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.10 | kJ mol-1 |
| Surface Area | 121.44 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.29 | Debye |