prop-2-en-1-ol
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 | 681.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 691.58 | 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 | 185.06 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 218.32 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.56 | J mol-1 K-1 |
| Rotational | 131.81 | J mol-1 K-1 |
| Vibrational | 241.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 543.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -185.61 | kJ mol-1 |
Molecular Orbitals
- 1 -551.04 eV View
- 2 -301.93 eV View
- 3 -300.73 eV View
- 4 -300.45 eV View
- 5 -300.23 eV View
- 6 -300.22 eV View
- 7 -300.12 eV View
- 8 -299.87 eV View
- 9 -299.81 eV View
- 10 -299.44 eV View
- 11 -35.28 eV View
- 12 -28.96 eV View
- 13 -27.47 eV View
- 14 -26.56 eV View
- 15 -25.25 eV View
- 16 -23.47 eV View
- 17 -22.83 eV View
- 18 -20.52 eV View
- 19 -19.82 eV View
- 20 -19.36 eV View
- 21 -17.35 eV View
- 22 -16.56 eV View
- 23 -15.92 eV View
- 24 -15.58 eV View
- 25 -15.36 eV View
- 26 -15.22 eV View
- 27 -14.81 eV View
- 28 -14.46 eV View
- 29 -13.78 eV View
- 30 -13.53 eV View
- 31 -13.06 eV View
- 32 -12.75 eV View
- 33 -12.73 eV View
- 34 -11.72 eV View
- 35 -11.54 eV View
- 36 -11.00 eV View
- 37 -10.92 eV View
- 38 -9.68 eV View
- 39 -8.60 eV View
- 40 -8.27 eV View
- 41 8.41 eV View
- 42 8.85 eV View
- 43 14.89 eV View
- 44 15.51 eV View
- 45 16.04 eV View
- 46 16.39 eV View
- 47 17.26 eV View
- 48 17.74 eV View
- 49 17.89 eV View
- 50 18.31 eV View
- 51 18.50 eV View
- 52 18.95 eV View
- 53 19.06 eV View
- 54 19.18 eV View
- 55 19.41 eV View
- 56 19.44 eV View
- 57 19.57 eV View
- 58 20.37 eV View
- 59 20.85 eV View
- 60 21.14 eV View
- 61 21.41 eV View
- 62 21.82 eV View
- 63 22.64 eV View
- 64 23.29 eV View
- 65 25.83 eV View
- 66 26.43 eV View
- 67 28.08 eV View
- 68 28.37 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 15.38 cm-1 View
- 2 22.11 cm-1 View
- 3 26.96 cm-1 View
- 4 36.46 cm-1 View
- 5 58.78 cm-1 View
- 6 68.92 cm-1 View
- 7 78.71 cm-1 View
- 8 125.41 cm-1 View
- 9 185.06 cm-1 View
- 10 211.36 cm-1 View
- 11 245.47 cm-1 View
- 12 302.60 cm-1 View
- 13 322.96 cm-1 View
- 14 347.75 cm-1 View
- 15 366.86 cm-1 View
- 16 398.50 cm-1 View
- 17 465.36 cm-1 View
- 18 506.98 cm-1 View
- 19 540.64 cm-1 View
- 20 623.56 cm-1 View
- 21 649.65 cm-1 View
- 22 835.46 cm-1 View
- 23 882.80 cm-1 View
- 24 885.70 cm-1 View
- 25 925.71 cm-1 View
- 26 935.38 cm-1 View
- 27 947.80 cm-1 View
- 28 955.23 cm-1 View
- 29 988.34 cm-1 View
- 30 1006.82 cm-1 View
- 31 1024.75 cm-1 View
- 32 1027.74 cm-1 View
- 33 1034.31 cm-1 View
- 34 1059.96 cm-1 View
- 35 1116.87 cm-1 View
- 36 1123.48 cm-1 View
- 37 1130.32 cm-1 View
- 38 1135.39 cm-1 View
- 39 1156.26 cm-1 View
- 40 1156.76 cm-1 View
- 41 1189.98 cm-1 View
- 42 1202.18 cm-1 View
- 43 1210.88 cm-1 View
- 44 1248.76 cm-1 View
- 45 1295.61 cm-1 View
- 46 1311.03 cm-1 View
- 47 1331.93 cm-1 View
- 48 1347.67 cm-1 View
- 49 1365.20 cm-1 View
- 50 1379.09 cm-1 View
- 51 1393.59 cm-1 View
- 52 1396.28 cm-1 View
- 53 1400.94 cm-1 View
- 54 1406.28 cm-1 View
- 55 1407.69 cm-1 View
- 56 1412.65 cm-1 View
- 57 1417.70 cm-1 View
- 58 1434.65 cm-1 View
- 59 1862.26 cm-1 View
- 60 1862.85 cm-1 View
- 61 2864.00 cm-1 View
- 62 2928.80 cm-1 View
- 63 2958.97 cm-1 View
- 64 3009.25 cm-1 View
- 65 3029.47 cm-1 View
- 66 3036.45 cm-1 View
- 67 3038.47 cm-1 View
- 68 3042.94 cm-1 View
- 69 3052.92 cm-1 View
- 70 3071.98 cm-1 View
- 71 3087.51 cm-1 View
- 72 3131.79 cm-1 View
- 73 3132.52 cm-1 View
- 74 3133.71 cm-1 View
- 75 3144.81 cm-1 View
- 76 3169.15 cm-1 View
- 77 3212.55 cm-1 View
- 78 3889.19 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 | 27.20 | kJ mol-1 |
| Polar Solvation Energy | -11.12 | kJ mol-1 |
| Nonpolar Solvation Energy | 38.37 | kJ mol-1 |
| Surface Area | 157.14 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.93 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]