3-(2-carboxyethyl)-4,6-dichloro-6h-indole-2-carboxylic acid
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 3.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 11.69 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 6.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.19 | J mol-1 K-1 |
| Rotational | 69.75 | J mol-1 K-1 |
| Vibrational | 5.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 246.99 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 45.05 | kJ mol-1 |
Molecular Orbitals
- 1 -31699.57 eV View
- 2 -4853.80 eV View
- 3 -4589.92 eV View
- 4 -4589.89 eV View
- 5 -4589.89 eV View
- 6 -2820.04 eV View
- 7 -978.54 eV View
- 8 -888.73 eV View
- 9 -888.58 eV View
- 10 -888.58 eV View
- 11 -641.31 eV View
- 12 -641.27 eV View
- 13 -641.27 eV View
- 14 -641.14 eV View
- 15 -641.14 eV View
- 16 -281.44 eV View
- 17 -211.87 eV View
- 18 -211.67 eV View
- 19 -211.67 eV View
- 20 -181.24 eV View
- 21 -142.53 eV View
- 22 -141.91 eV View
- 23 -141.91 eV View
- 24 -55.73 eV View
- 25 -55.50 eV View
- 26 -55.50 eV View
- 27 -54.98 eV View
- 28 -54.98 eV View
- 29 -28.76 eV View
- 30 -18.73 eV View
- 31 -12.27 eV View
- 32 -12.27 eV View
- 33 -12.02 eV View
- 34 -8.10 eV View
- 35 -8.10 eV View
- 36 5.14 eV View
- 37 352.36 eV View
- 38 10638.23 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 341.27 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]