2-(carboxymethyldiazenyl)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 | 319.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 329.70 | 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 | 126.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 159.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 126.97 | J mol-1 K-1 |
| Vibrational | 160.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 458.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -599.77 | kJ mol-1 |
Molecular Orbitals
- 1 -552.73 eV View
- 2 -552.59 eV View
- 3 -551.54 eV View
- 4 -551.48 eV View
- 5 -419.75 eV View
- 6 -419.71 eV View
- 7 -304.53 eV View
- 8 -304.37 eV View
- 9 -302.84 eV View
- 10 -302.80 eV View
- 11 -38.15 eV View
- 12 -38.03 eV View
- 13 -36.35 eV View
- 14 -34.94 eV View
- 15 -34.91 eV View
- 16 -28.84 eV View
- 17 -26.35 eV View
- 18 -21.88 eV View
- 19 -20.43 eV View
- 20 -20.15 eV View
- 21 -18.34 eV View
- 22 -17.74 eV View
- 23 -17.49 eV View
- 24 -16.49 eV View
- 25 -16.26 eV View
- 26 -15.38 eV View
- 27 -15.02 eV View
- 28 -14.47 eV View
- 29 -14.30 eV View
- 30 -13.60 eV View
- 31 -12.97 eV View
- 32 -12.58 eV View
- 33 -11.72 eV View
- 34 -9.76 eV View
- 35 -9.72 eV View
- 36 -9.61 eV View
- 37 -9.47 eV View
- 38 -8.39 eV View
- 39 6.40 eV View
- 40 7.68 eV View
- 41 8.29 eV View
- 42 14.48 eV View
- 43 14.78 eV View
- 44 15.19 eV View
- 45 16.28 eV View
- 46 16.70 eV View
- 47 16.82 eV View
- 48 17.82 eV View
- 49 18.35 eV View
- 50 18.58 eV View
- 51 19.26 eV View
- 52 21.05 eV View
- 53 22.04 eV View
- 54 25.95 eV View
- 55 26.71 eV View
- 56 27.19 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 18.85 cm-1 View
- 2 25.06 cm-1 View
- 3 41.29 cm-1 View
- 4 55.13 cm-1 View
- 5 95.95 cm-1 View
- 6 202.98 cm-1 View
- 7 264.35 cm-1 View
- 8 338.15 cm-1 View
- 9 383.52 cm-1 View
- 10 406.33 cm-1 View
- 11 410.67 cm-1 View
- 12 449.44 cm-1 View
- 13 509.89 cm-1 View
- 14 520.82 cm-1 View
- 15 556.97 cm-1 View
- 16 685.50 cm-1 View
- 17 702.82 cm-1 View
- 18 869.14 cm-1 View
- 19 927.27 cm-1 View
- 20 951.81 cm-1 View
- 21 964.91 cm-1 View
- 22 1019.36 cm-1 View
- 23 1039.00 cm-1 View
- 24 1116.63 cm-1 View
- 25 1161.55 cm-1 View
- 26 1248.38 cm-1 View
- 27 1277.44 cm-1 View
- 28 1295.51 cm-1 View
- 29 1309.80 cm-1 View
- 30 1349.83 cm-1 View
- 31 1365.39 cm-1 View
- 32 1424.89 cm-1 View
- 33 1446.24 cm-1 View
- 34 1945.44 cm-1 View
- 35 1984.19 cm-1 View
- 36 1995.65 cm-1 View
- 37 2929.23 cm-1 View
- 38 2930.59 cm-1 View
- 39 2986.76 cm-1 View
- 40 2994.02 cm-1 View
- 41 3852.68 cm-1 View
- 42 3886.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -26.94 | kJ mol-1 |
| Polar Solvation Energy | -50.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.53 | kJ mol-1 |
| Surface Area | 141.05 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.68 | Debye |