Hexa-2,4-dienedioic acid
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 | 324.01 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 333.92 | 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 | 124.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 157.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.56 | J mol-1 K-1 |
| Rotational | 127.10 | J mol-1 K-1 |
| Vibrational | 140.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 438.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -636.28 | kJ mol-1 |
Molecular Orbitals
- 1 -552.19 eV View
- 2 -552.19 eV View
- 3 -550.93 eV View
- 4 -550.93 eV View
- 5 -304.13 eV View
- 6 -304.13 eV View
- 7 -301.36 eV View
- 8 -301.36 eV View
- 9 -300.98 eV View
- 10 -300.98 eV View
- 11 -37.76 eV View
- 12 -37.75 eV View
- 13 -34.49 eV View
- 14 -34.49 eV View
- 15 -29.32 eV View
- 16 -27.28 eV View
- 17 -23.84 eV View
- 18 -21.56 eV View
- 19 -19.67 eV View
- 20 -19.02 eV View
- 21 -17.65 eV View
- 22 -16.95 eV View
- 23 -16.12 eV View
- 24 -15.84 eV View
- 25 -14.93 eV View
- 26 -14.83 eV View
- 27 -14.75 eV View
- 28 -14.46 eV View
- 29 -13.60 eV View
- 30 -12.41 eV View
- 31 -12.17 eV View
- 32 -11.51 eV View
- 33 -9.77 eV View
- 34 -9.41 eV View
- 35 -9.34 eV View
- 36 -9.31 eV View
- 37 -7.63 eV View
- 38 4.27 eV View
- 39 7.65 eV View
- 40 10.44 eV View
- 41 11.90 eV View
- 42 14.20 eV View
- 43 15.86 eV View
- 44 16.50 eV View
- 45 17.34 eV View
- 46 17.36 eV View
- 47 17.69 eV View
- 48 18.33 eV View
- 49 20.18 eV View
- 50 20.69 eV View
- 51 22.85 eV View
- 52 23.67 eV View
- 53 25.67 eV View
- 54 26.56 eV View
- 55 28.52 eV View
- 56 30.00 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.59 cm-1 View
- 2 60.86 cm-1 View
- 3 73.40 cm-1 View
- 4 86.12 cm-1 View
- 5 125.01 cm-1 View
- 6 189.00 cm-1 View
- 7 257.93 cm-1 View
- 8 281.18 cm-1 View
- 9 358.54 cm-1 View
- 10 423.45 cm-1 View
- 11 508.98 cm-1 View
- 12 520.30 cm-1 View
- 13 523.45 cm-1 View
- 14 530.57 cm-1 View
- 15 614.12 cm-1 View
- 16 620.29 cm-1 View
- 17 660.00 cm-1 View
- 18 916.11 cm-1 View
- 19 925.62 cm-1 View
- 20 937.01 cm-1 View
- 21 1014.99 cm-1 View
- 22 1023.54 cm-1 View
- 23 1059.62 cm-1 View
- 24 1164.53 cm-1 View
- 25 1185.16 cm-1 View
- 26 1228.33 cm-1 View
- 27 1241.32 cm-1 View
- 28 1245.61 cm-1 View
- 29 1247.74 cm-1 View
- 30 1316.44 cm-1 View
- 31 1455.65 cm-1 View
- 32 1486.03 cm-1 View
- 33 1846.66 cm-1 View
- 34 1872.50 cm-1 View
- 35 1969.18 cm-1 View
- 36 1973.32 cm-1 View
- 37 3014.57 cm-1 View
- 38 3021.50 cm-1 View
- 39 3037.43 cm-1 View
- 40 3038.03 cm-1 View
- 41 3854.27 cm-1 View
- 42 3854.37 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -14.45 | kJ mol-1 |
| Polar Solvation Energy | -34.55 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.11 | kJ mol-1 |
| Surface Area | 139.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.30 | Debye |