MolCalcThe Molecule Calculator

(z)-but-2-ene

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	288.90	kJ mol^-1
Total (Trans. + Rot. + Vib.)	298.82	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	49.83	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	83.09	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	158.96	J mol^-1 K^-1
Rotational	101.53	J mol^-1 K^-1
Vibrational	36.43	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	296.92	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-14.86	kJ mol^-1

Molecular Orbitals

1 -300.35 eV View
2 -300.35 eV View
3 -299.71 eV View
4 -299.69 eV View
5 -28.12 eV View
6 -25.40 eV View
7 -22.99 eV View
8 -18.37 eV View
9 -16.84 eV View
10 -14.80 eV View
11 -14.43 eV View
12 -14.21 eV View
13 -13.26 eV View
14 -12.67 eV View
15 -11.57 eV View
16 -7.82 eV View
17 8.76 eV View
18 15.83 eV View
19 18.37 eV View
20 18.46 eV View
21 19.00 eV View
22 19.30 eV View
23 19.58 eV View
24 20.02 eV View
25 21.01 eV View
26 21.96 eV View
27 26.07 eV View
28 29.10 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 120.65 cm^-1 View
2 195.51 cm^-1 View
3 373.52 cm^-1 View
4 408.84 cm^-1 View
5 617.15 cm^-1 View
6 744.94 cm^-1 View
7 924.44 cm^-1 View
8 975.92 cm^-1 View
9 992.81 cm^-1 View
10 1025.41 cm^-1 View
11 1046.24 cm^-1 View
12 1118.15 cm^-1 View
13 1145.50 cm^-1 View
14 1227.32 cm^-1 View
15 1291.47 cm^-1 View
16 1383.97 cm^-1 View
17 1387.95 cm^-1 View
18 1389.11 cm^-1 View
19 1397.70 cm^-1 View
20 1455.38 cm^-1 View
21 1469.35 cm^-1 View
22 1887.84 cm^-1 View
23 3034.46 cm^-1 View
24 3038.60 cm^-1 View
25 3052.48 cm^-1 View
26 3057.47 cm^-1 View
27 3072.48 cm^-1 View
28 3073.32 cm^-1 View
29 3157.36 cm^-1 View
30 3158.35 cm^-1 View