2-(phosphonomethylamino)acetic 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 | 363.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 373.62 | 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 | 157.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 190.93 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.72 | J mol-1 K-1 |
| Rotational | 128.95 | J mol-1 K-1 |
| Vibrational | 181.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 483.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1194.74 | kJ mol-1 |
Molecular Orbitals
- 1 -2157.52 eV View
- 2 -552.44 eV View
- 3 -551.10 eV View
- 4 -550.55 eV View
- 5 -550.45 eV View
- 6 -546.73 eV View
- 7 -417.98 eV View
- 8 -304.02 eV View
- 9 -302.58 eV View
- 10 -302.26 eV View
- 11 -205.96 eV View
- 12 -146.96 eV View
- 13 -146.89 eV View
- 14 -146.88 eV View
- 15 -37.73 eV View
- 16 -36.28 eV View
- 17 -34.73 eV View
- 18 -34.64 eV View
- 19 -33.32 eV View
- 20 -32.39 eV View
- 21 -26.63 eV View
- 22 -24.19 eV View
- 23 -20.77 eV View
- 24 -20.02 eV View
- 25 -18.30 eV View
- 26 -17.63 eV View
- 27 -17.51 eV View
- 28 -16.52 eV View
- 29 -15.87 eV View
- 30 -15.34 eV View
- 31 -14.63 eV View
- 32 -14.40 eV View
- 33 -13.75 eV View
- 34 -13.61 eV View
- 35 -13.16 eV View
- 36 -12.47 eV View
- 37 -11.69 eV View
- 38 -10.68 eV View
- 39 -10.09 eV View
- 40 -9.68 eV View
- 41 -9.30 eV View
- 42 -9.14 eV View
- 43 -8.11 eV View
- 44 -8.02 eV View
- 45 8.18 eV View
- 46 10.30 eV View
- 47 10.49 eV View
- 48 11.17 eV View
- 49 14.87 eV View
- 50 15.34 eV View
- 51 15.74 eV View
- 52 16.70 eV View
- 53 16.91 eV View
- 54 17.68 eV View
- 55 18.18 eV View
- 56 18.34 eV View
- 57 18.86 eV View
- 58 19.23 eV View
- 59 19.72 eV View
- 60 20.61 eV View
- 61 22.75 eV View
- 62 27.38 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 27.24 cm-1 View
- 2 34.11 cm-1 View
- 3 59.87 cm-1 View
- 4 66.33 cm-1 View
- 5 120.27 cm-1 View
- 6 146.75 cm-1 View
- 7 186.02 cm-1 View
- 8 212.43 cm-1 View
- 9 241.69 cm-1 View
- 10 252.56 cm-1 View
- 11 298.91 cm-1 View
- 12 325.66 cm-1 View
- 13 362.94 cm-1 View
- 14 378.40 cm-1 View
- 15 429.83 cm-1 View
- 16 456.08 cm-1 View
- 17 534.87 cm-1 View
- 18 648.60 cm-1 View
- 19 690.01 cm-1 View
- 20 749.42 cm-1 View
- 21 791.39 cm-1 View
- 22 813.24 cm-1 View
- 23 868.52 cm-1 View
- 24 951.36 cm-1 View
- 25 963.24 cm-1 View
- 26 975.88 cm-1 View
- 27 984.63 cm-1 View
- 28 1024.18 cm-1 View
- 29 1060.56 cm-1 View
- 30 1090.74 cm-1 View
- 31 1117.23 cm-1 View
- 32 1124.07 cm-1 View
- 33 1227.58 cm-1 View
- 34 1273.74 cm-1 View
- 35 1308.81 cm-1 View
- 36 1353.14 cm-1 View
- 37 1370.96 cm-1 View
- 38 1404.45 cm-1 View
- 39 1442.38 cm-1 View
- 40 1985.97 cm-1 View
- 41 2919.47 cm-1 View
- 42 2967.11 cm-1 View
- 43 2988.33 cm-1 View
- 44 3046.88 cm-1 View
- 45 3358.34 cm-1 View
- 46 3878.50 cm-1 View
- 47 3954.61 cm-1 View
- 48 3958.07 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -53.34 | kJ mol-1 |
| Polar Solvation Energy | -73.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.44 | kJ mol-1 |
| Surface Area | 140.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.88 | Debye |