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 | 634.92 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 644.84 | 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 | 151.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 184.44 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.39 | J mol-1 K-1 |
| Rotational | 123.71 | J mol-1 K-1 |
| Vibrational | 118.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 412.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -280.86 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 76.50 cm-1 View
- 2 117.31 cm-1 View
- 3 136.84 cm-1 View
- 4 168.29 cm-1 View
- 5 203.96 cm-1 View
- 6 247.86 cm-1 View
- 7 305.21 cm-1 View
- 8 315.37 cm-1 View
- 9 349.13 cm-1 View
- 10 383.65 cm-1 View
- 11 399.75 cm-1 View
- 12 429.59 cm-1 View
- 13 465.60 cm-1 View
- 14 506.08 cm-1 View
- 15 517.62 cm-1 View
- 16 574.98 cm-1 View
- 17 593.55 cm-1 View
- 18 729.88 cm-1 View
- 19 871.57 cm-1 View
- 20 882.27 cm-1 View
- 21 896.17 cm-1 View
- 22 918.95 cm-1 View
- 23 935.12 cm-1 View
- 24 958.15 cm-1 View
- 25 967.47 cm-1 View
- 26 993.04 cm-1 View
- 27 999.43 cm-1 View
- 28 1014.68 cm-1 View
- 29 1018.58 cm-1 View
- 30 1034.12 cm-1 View
- 31 1071.16 cm-1 View
- 32 1082.75 cm-1 View
- 33 1119.76 cm-1 View
- 34 1130.17 cm-1 View
- 35 1167.77 cm-1 View
- 36 1241.22 cm-1 View
- 37 1250.13 cm-1 View
- 38 1274.71 cm-1 View
- 39 1298.02 cm-1 View
- 40 1340.65 cm-1 View
- 41 1353.93 cm-1 View
- 42 1358.67 cm-1 View
- 43 1379.26 cm-1 View
- 44 1390.75 cm-1 View
- 45 1393.80 cm-1 View
- 46 1394.92 cm-1 View
- 47 1396.54 cm-1 View
- 48 1401.74 cm-1 View
- 49 1406.59 cm-1 View
- 50 1408.00 cm-1 View
- 51 1408.83 cm-1 View
- 52 1411.69 cm-1 View
- 53 1416.42 cm-1 View
- 54 1472.97 cm-1 View
- 55 1476.55 cm-1 View
- 56 1907.68 cm-1 View
- 57 2907.52 cm-1 View
- 58 2949.39 cm-1 View
- 59 2955.42 cm-1 View
- 60 3024.99 cm-1 View
- 61 3031.64 cm-1 View
- 62 3032.75 cm-1 View
- 63 3068.57 cm-1 View
- 64 3074.57 cm-1 View
- 65 3075.46 cm-1 View
- 66 3080.13 cm-1 View
- 67 3081.78 cm-1 View
- 68 3083.92 cm-1 View
- 69 3167.75 cm-1 View
- 70 3175.18 cm-1 View
- 71 3177.61 cm-1 View
- 72 3855.54 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 13.99 | kJ mol-1 |
| Polar Solvation Energy | -10.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.04 | kJ mol-1 |
| Surface Area | 124.96 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.80 | Debye |