[(1r,4r)-4-amino-1-cyclopent-2-enyl]methanol
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 | 447.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 457.82 | 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 | 105.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 138.46 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.71 | J mol-1 K-1 |
| Rotational | 118.48 | J mol-1 K-1 |
| Vibrational | 88.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 374.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -159.42 | kJ mol-1 |
Molecular Orbitals
- 1 -551.02 eV View
- 2 -416.42 eV View
- 3 -301.80 eV View
- 4 -301.52 eV View
- 5 -300.85 eV View
- 6 -300.51 eV View
- 7 -299.90 eV View
- 8 -299.87 eV View
- 9 -35.29 eV View
- 10 -31.13 eV View
- 11 -29.03 eV View
- 12 -25.77 eV View
- 13 -24.67 eV View
- 14 -22.57 eV View
- 15 -20.06 eV View
- 16 -18.89 eV View
- 17 -17.55 eV View
- 18 -17.23 eV View
- 19 -16.42 eV View
- 20 -15.46 eV View
- 21 -14.60 eV View
- 22 -14.13 eV View
- 23 -13.48 eV View
- 24 -13.20 eV View
- 25 -12.47 eV View
- 26 -12.14 eV View
- 27 -11.86 eV View
- 28 -10.82 eV View
- 29 -9.67 eV View
- 30 -8.53 eV View
- 31 -8.09 eV View
- 32 8.32 eV View
- 33 14.84 eV View
- 34 15.27 eV View
- 35 15.54 eV View
- 36 16.61 eV View
- 37 16.77 eV View
- 38 17.70 eV View
- 39 18.36 eV View
- 40 18.52 eV View
- 41 19.38 eV View
- 42 19.62 eV View
- 43 19.78 eV View
- 44 19.99 eV View
- 45 20.63 eV View
- 46 20.88 eV View
- 47 21.20 eV View
- 48 22.55 eV View
- 49 22.76 eV View
- 50 24.69 eV View
- 51 28.87 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.88 cm-1 View
- 2 96.25 cm-1 View
- 3 192.12 cm-1 View
- 4 234.32 cm-1 View
- 5 265.88 cm-1 View
- 6 328.76 cm-1 View
- 7 352.24 cm-1 View
- 8 432.43 cm-1 View
- 9 472.57 cm-1 View
- 10 543.00 cm-1 View
- 11 698.67 cm-1 View
- 12 728.28 cm-1 View
- 13 803.26 cm-1 View
- 14 891.60 cm-1 View
- 15 897.91 cm-1 View
- 16 954.01 cm-1 View
- 17 969.78 cm-1 View
- 18 994.43 cm-1 View
- 19 1019.77 cm-1 View
- 20 1033.43 cm-1 View
- 21 1062.68 cm-1 View
- 22 1078.26 cm-1 View
- 23 1090.15 cm-1 View
- 24 1108.98 cm-1 View
- 25 1115.98 cm-1 View
- 26 1127.86 cm-1 View
- 27 1144.62 cm-1 View
- 28 1176.73 cm-1 View
- 29 1210.20 cm-1 View
- 30 1241.95 cm-1 View
- 31 1275.97 cm-1 View
- 32 1292.82 cm-1 View
- 33 1342.30 cm-1 View
- 34 1357.39 cm-1 View
- 35 1376.59 cm-1 View
- 36 1394.77 cm-1 View
- 37 1407.59 cm-1 View
- 38 1419.01 cm-1 View
- 39 1665.47 cm-1 View
- 40 1836.16 cm-1 View
- 41 2872.10 cm-1 View
- 42 2896.31 cm-1 View
- 43 2940.33 cm-1 View
- 44 2977.20 cm-1 View
- 45 3023.59 cm-1 View
- 46 3059.17 cm-1 View
- 47 3106.92 cm-1 View
- 48 3126.74 cm-1 View
- 49 3388.81 cm-1 View
- 50 3522.48 cm-1 View
- 51 3882.07 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.33 | kJ mol-1 |
| Polar Solvation Energy | -17.68 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.03 | kJ mol-1 |
| Surface Area | 114.39 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.48 | Debye |