2-methylbut-1-ene ethane 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 | 681.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 691.61 | 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 | 179.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 213.04 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.15 | J mol-1 K-1 |
| Rotational | 128.72 | J mol-1 K-1 |
| Vibrational | 282.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 579.58 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -128.92 | kJ mol-1 |
Molecular Orbitals
- 1 -416.26 eV View
- 2 -300.76 eV View
- 3 -300.49 eV View
- 4 -300.45 eV View
- 5 -300.38 eV View
- 6 -300.35 eV View
- 7 -300.14 eV View
- 8 -299.17 eV View
- 9 -29.73 eV View
- 10 -28.77 eV View
- 11 -26.96 eV View
- 12 -26.11 eV View
- 13 -23.98 eV View
- 14 -22.37 eV View
- 15 -22.10 eV View
- 16 -18.23 eV View
- 17 -16.49 eV View
- 18 -16.17 eV View
- 19 -15.88 eV View
- 20 -15.67 eV View
- 21 -15.59 eV View
- 22 -15.55 eV View
- 23 -15.04 eV View
- 24 -14.42 eV View
- 25 -13.82 eV View
- 26 -13.28 eV View
- 27 -13.06 eV View
- 28 -12.72 eV View
- 29 -12.45 eV View
- 30 -12.44 eV View
- 31 -12.08 eV View
- 32 -11.32 eV View
- 33 -9.48 eV View
- 34 -7.87 eV View
- 35 8.61 eV View
- 36 14.72 eV View
- 37 16.23 eV View
- 38 16.90 eV View
- 39 17.05 eV View
- 40 17.52 eV View
- 41 17.57 eV View
- 42 18.24 eV View
- 43 18.91 eV View
- 44 19.18 eV View
- 45 19.50 eV View
- 46 19.55 eV View
- 47 19.92 eV View
- 48 20.04 eV View
- 49 20.21 eV View
- 50 20.33 eV View
- 51 20.86 eV View
- 52 21.00 eV View
- 53 21.04 eV View
- 54 21.20 eV View
- 55 21.56 eV View
- 56 22.07 eV View
- 57 24.44 eV View
- 58 26.35 eV View
- 59 28.62 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 8.07 cm-1 View
- 2 14.37 cm-1 View
- 3 15.19 cm-1 View
- 4 27.27 cm-1 View
- 5 30.66 cm-1 View
- 6 36.49 cm-1 View
- 7 62.24 cm-1 View
- 8 72.13 cm-1 View
- 9 85.43 cm-1 View
- 10 90.22 cm-1 View
- 11 97.85 cm-1 View
- 12 140.72 cm-1 View
- 13 161.30 cm-1 View
- 14 212.27 cm-1 View
- 15 245.35 cm-1 View
- 16 255.74 cm-1 View
- 17 335.74 cm-1 View
- 18 418.46 cm-1 View
- 19 452.31 cm-1 View
- 20 538.10 cm-1 View
- 21 637.89 cm-1 View
- 22 840.63 cm-1 View
- 23 879.26 cm-1 View
- 24 880.44 cm-1 View
- 25 889.16 cm-1 View
- 26 950.94 cm-1 View
- 27 973.47 cm-1 View
- 28 1001.02 cm-1 View
- 29 1018.69 cm-1 View
- 30 1063.59 cm-1 View
- 31 1073.59 cm-1 View
- 32 1117.74 cm-1 View
- 33 1119.52 cm-1 View
- 34 1120.57 cm-1 View
- 35 1139.04 cm-1 View
- 36 1153.00 cm-1 View
- 37 1237.91 cm-1 View
- 38 1324.65 cm-1 View
- 39 1359.45 cm-1 View
- 40 1361.60 cm-1 View
- 41 1382.68 cm-1 View
- 42 1395.36 cm-1 View
- 43 1396.76 cm-1 View
- 44 1398.13 cm-1 View
- 45 1402.01 cm-1 View
- 46 1407.89 cm-1 View
- 47 1409.99 cm-1 View
- 48 1411.40 cm-1 View
- 49 1413.45 cm-1 View
- 50 1418.30 cm-1 View
- 51 1419.92 cm-1 View
- 52 1443.80 cm-1 View
- 53 1475.27 cm-1 View
- 54 1753.98 cm-1 View
- 55 1760.05 cm-1 View
- 56 1871.93 cm-1 View
- 57 2943.79 cm-1 View
- 58 3025.79 cm-1 View
- 59 3042.20 cm-1 View
- 60 3062.52 cm-1 View
- 61 3069.10 cm-1 View
- 62 3071.83 cm-1 View
- 63 3073.80 cm-1 View
- 64 3077.55 cm-1 View
- 65 3086.56 cm-1 View
- 66 3087.61 cm-1 View
- 67 3093.27 cm-1 View
- 68 3148.01 cm-1 View
- 69 3164.08 cm-1 View
- 70 3171.90 cm-1 View
- 71 3172.06 cm-1 View
- 72 3187.45 cm-1 View
- 73 3447.65 cm-1 View
- 74 3460.06 cm-1 View
- 75 3654.28 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 31.86 | kJ mol-1 |
| Polar Solvation Energy | -10.76 | kJ mol-1 |
| Nonpolar Solvation Energy | 42.64 | kJ mol-1 |
| Surface Area | 148.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.68 | Debye |