MolCalcThe Molecule Calculator

Propan-2-ol

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

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	289.15	kJ mol^-1
Total (Trans. + Rot. + Vib.)	299.07	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	54.08	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	87.34	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.82	J mol^-1 K^-1
Rotational	102.08	J mol^-1 K^-1
Vibrational	37.98	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	299.87	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-274.89	kJ mol^-1

Molecular Orbitals

1 -550.83 eV View
2 -301.96 eV View
3 -300.38 eV View
4 -300.38 eV View
5 -35.17 eV View
6 -27.13 eV View
7 -24.48 eV View
8 -20.85 eV View
9 -16.58 eV View
10 -15.93 eV View
11 -15.03 eV View
12 -14.27 eV View
13 -13.92 eV View
14 -12.75 eV View
15 -12.36 eV View
16 -10.70 eV View
17 -9.34 eV View
18 15.04 eV View
19 16.22 eV View
20 17.78 eV View
21 18.65 eV View
22 19.12 eV View
23 19.13 eV View
24 20.12 eV View
25 20.51 eV View
26 21.00 eV View
27 21.25 eV View
28 22.11 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 166.21 cm^-1 View
2 189.74 cm^-1 View
3 357.05 cm^-1 View
4 386.76 cm^-1 View
5 442.91 cm^-1 View
6 525.59 cm^-1 View
7 927.53 cm^-1 View
8 951.43 cm^-1 View
9 968.73 cm^-1 View
10 983.86 cm^-1 View
11 1070.06 cm^-1 View
12 1111.62 cm^-1 View
13 1132.12 cm^-1 View
14 1274.40 cm^-1 View
15 1339.66 cm^-1 View
16 1382.28 cm^-1 View
17 1398.58 cm^-1 View
18 1404.63 cm^-1 View
19 1407.23 cm^-1 View
20 1408.85 cm^-1 View
21 1410.70 cm^-1 View
22 1415.80 cm^-1 View
23 2916.74 cm^-1 View
24 3081.38 cm^-1 View
25 3081.71 cm^-1 View
26 3091.88 cm^-1 View
27 3092.73 cm^-1 View
28 3183.70 cm^-1 View
29 3184.65 cm^-1 View
30 3883.52 cm^-1 View