[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
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 | 485.46 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 495.37 | 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 | 129.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 162.60 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 121.34 | J mol-1 K-1 |
| Vibrational | 121.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 412.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -587.50 | kJ mol-1 |
Molecular Orbitals
- 1 -551.36 eV View
- 2 -551.30 eV View
- 3 -551.14 eV View
- 4 -303.37 eV View
- 5 -302.45 eV View
- 6 -302.21 eV View
- 7 -302.06 eV View
- 8 -300.48 eV View
- 9 -300.45 eV View
- 10 -37.23 eV View
- 11 -35.36 eV View
- 12 -34.17 eV View
- 13 -28.17 eV View
- 14 -25.86 eV View
- 15 -24.60 eV View
- 16 -23.49 eV View
- 17 -21.26 eV View
- 18 -19.80 eV View
- 19 -17.62 eV View
- 20 -17.30 eV View
- 21 -16.56 eV View
- 22 -15.69 eV View
- 23 -15.31 eV View
- 24 -15.13 eV View
- 25 -14.85 eV View
- 26 -14.14 eV View
- 27 -13.86 eV View
- 28 -13.13 eV View
- 29 -12.94 eV View
- 30 -12.64 eV View
- 31 -12.13 eV View
- 32 -10.97 eV View
- 33 -10.46 eV View
- 34 -9.92 eV View
- 35 -9.13 eV View
- 36 -8.54 eV View
- 37 12.86 eV View
- 38 14.11 eV View
- 39 15.36 eV View
- 40 15.56 eV View
- 41 15.81 eV View
- 42 17.41 eV View
- 43 17.54 eV View
- 44 17.91 eV View
- 45 18.24 eV View
- 46 19.01 eV View
- 47 19.17 eV View
- 48 19.39 eV View
- 49 19.74 eV View
- 50 19.91 eV View
- 51 20.33 eV View
- 52 20.44 eV View
- 53 20.65 eV View
- 54 20.77 eV View
- 55 21.43 eV View
- 56 21.75 eV View
- 57 22.73 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
|
- 1 49.77 cm-1 View
- 2 65.42 cm-1 View
- 3 107.10 cm-1 View
- 4 158.47 cm-1 View
- 5 183.95 cm-1 View
- 6 222.09 cm-1 View
- 7 255.00 cm-1 View
- 8 332.92 cm-1 View
- 9 345.10 cm-1 View
- 10 397.23 cm-1 View
- 11 413.71 cm-1 View
- 12 478.76 cm-1 View
- 13 517.90 cm-1 View
- 14 638.77 cm-1 View
- 15 752.29 cm-1 View
- 16 850.79 cm-1 View
- 17 897.07 cm-1 View
- 18 918.82 cm-1 View
- 19 931.47 cm-1 View
- 20 955.63 cm-1 View
- 21 977.78 cm-1 View
- 22 980.33 cm-1 View
- 23 984.22 cm-1 View
- 24 1041.86 cm-1 View
- 25 1051.71 cm-1 View
- 26 1081.62 cm-1 View
- 27 1108.91 cm-1 View
- 28 1119.73 cm-1 View
- 29 1140.15 cm-1 View
- 30 1232.82 cm-1 View
- 31 1237.25 cm-1 View
- 32 1282.41 cm-1 View
- 33 1290.54 cm-1 View
- 34 1314.63 cm-1 View
- 35 1339.34 cm-1 View
- 36 1357.57 cm-1 View
- 37 1375.15 cm-1 View
- 38 1388.19 cm-1 View
- 39 1390.91 cm-1 View
- 40 1398.55 cm-1 View
- 41 1398.68 cm-1 View
- 42 1399.93 cm-1 View
- 43 1404.83 cm-1 View
- 44 1408.16 cm-1 View
- 45 1412.62 cm-1 View
- 46 2888.15 cm-1 View
- 47 2935.82 cm-1 View
- 48 2962.26 cm-1 View
- 49 2998.69 cm-1 View
- 50 3012.74 cm-1 View
- 51 3078.78 cm-1 View
- 52 3086.01 cm-1 View
- 53 3087.72 cm-1 View
- 54 3090.38 cm-1 View
- 55 3176.01 cm-1 View
- 56 3179.11 cm-1 View
- 57 3868.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.19 | kJ mol-1 |
| Polar Solvation Energy | -22.27 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.46 | kJ mol-1 |
| Surface Area | 118.94 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.86 | Debye |