Heptan-1-ol
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 | 595.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 605.18 | 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 | 133.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 166.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 122.05 | J mol-1 K-1 |
| Vibrational | 141.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 431.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -358.21 | kJ mol-1 |
Molecular Orbitals
- 1 -550.87 eV View
- 2 -301.69 eV View
- 3 -300.54 eV View
- 4 -300.50 eV View
- 5 -300.43 eV View
- 6 -300.40 eV View
- 7 -300.36 eV View
- 8 -300.21 eV View
- 9 -35.14 eV View
- 10 -28.74 eV View
- 11 -27.59 eV View
- 12 -25.75 eV View
- 13 -23.55 eV View
- 14 -21.63 eV View
- 15 -20.71 eV View
- 16 -20.51 eV View
- 17 -17.38 eV View
- 18 -16.73 eV View
- 19 -15.81 eV View
- 20 -15.43 eV View
- 21 -15.07 eV View
- 22 -14.50 eV View
- 23 -14.06 eV View
- 24 -13.71 eV View
- 25 -13.16 eV View
- 26 -12.51 eV View
- 27 -12.36 eV View
- 28 -11.76 eV View
- 29 -11.75 eV View
- 30 -11.49 eV View
- 31 -11.40 eV View
- 32 -10.41 eV View
- 33 -9.23 eV View
- 34 15.23 eV View
- 35 15.27 eV View
- 36 16.21 eV View
- 37 16.43 eV View
- 38 17.47 eV View
- 39 17.72 eV View
- 40 17.79 eV View
- 41 18.43 eV View
- 42 18.96 eV View
- 43 19.07 eV View
- 44 19.53 eV View
- 45 19.67 eV View
- 46 20.11 eV View
- 47 20.36 eV View
- 48 20.46 eV View
- 49 20.70 eV View
- 50 21.04 eV View
- 51 21.49 eV View
- 52 21.56 eV View
- 53 21.95 eV View
- 54 22.10 eV View
- 55 22.14 eV View
- 56 22.63 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.54 cm-1 View
- 2 69.77 cm-1 View
- 3 90.12 cm-1 View
- 4 97.87 cm-1 View
- 5 116.20 cm-1 View
- 6 127.09 cm-1 View
- 7 197.72 cm-1 View
- 8 237.31 cm-1 View
- 9 291.99 cm-1 View
- 10 321.40 cm-1 View
- 11 399.23 cm-1 View
- 12 505.42 cm-1 View
- 13 535.94 cm-1 View
- 14 756.71 cm-1 View
- 15 774.91 cm-1 View
- 16 815.08 cm-1 View
- 17 875.12 cm-1 View
- 18 938.75 cm-1 View
- 19 957.62 cm-1 View
- 20 988.10 cm-1 View
- 21 1026.28 cm-1 View
- 22 1080.31 cm-1 View
- 23 1097.50 cm-1 View
- 24 1113.71 cm-1 View
- 25 1117.75 cm-1 View
- 26 1121.75 cm-1 View
- 27 1126.40 cm-1 View
- 28 1138.69 cm-1 View
- 29 1141.88 cm-1 View
- 30 1144.46 cm-1 View
- 31 1154.05 cm-1 View
- 32 1162.18 cm-1 View
- 33 1168.65 cm-1 View
- 34 1171.51 cm-1 View
- 35 1205.63 cm-1 View
- 36 1249.44 cm-1 View
- 37 1305.79 cm-1 View
- 38 1350.48 cm-1 View
- 39 1373.65 cm-1 View
- 40 1379.37 cm-1 View
- 41 1385.38 cm-1 View
- 42 1389.53 cm-1 View
- 43 1405.79 cm-1 View
- 44 1408.97 cm-1 View
- 45 1411.42 cm-1 View
- 46 1411.99 cm-1 View
- 47 1415.35 cm-1 View
- 48 1423.04 cm-1 View
- 49 1429.88 cm-1 View
- 50 1438.43 cm-1 View
- 51 2932.40 cm-1 View
- 52 2937.71 cm-1 View
- 53 2945.31 cm-1 View
- 54 2953.15 cm-1 View
- 55 2958.38 cm-1 View
- 56 2959.98 cm-1 View
- 57 3025.58 cm-1 View
- 58 3026.78 cm-1 View
- 59 3029.56 cm-1 View
- 60 3030.90 cm-1 View
- 61 3034.37 cm-1 View
- 62 3034.67 cm-1 View
- 63 3078.88 cm-1 View
- 64 3084.74 cm-1 View
- 65 3181.79 cm-1 View
- 66 3887.26 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.98 | kJ mol-1 |
| Polar Solvation Energy | -10.43 | kJ mol-1 |
| Nonpolar Solvation Energy | 28.42 | kJ mol-1 |
| Surface Area | 126.45 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.79 | Debye |