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	287.55	kJ mol^-1
Total (Trans. + Rot. + Vib.)	297.47	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	52.22	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	85.48	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	158.96	J mol^-1 K^-1
Rotational	101.48	J mol^-1 K^-1
Vibrational	48.71	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	309.15	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-10.31	kJ mol^-1

Molecular Orbitals

1 -300.38 eV View
2 -300.37 eV View
3 -299.68 eV View
4 -299.66 eV View
5 -28.11 eV View
6 -25.40 eV View
7 -22.95 eV View
8 -18.42 eV View
9 -16.67 eV View
10 -14.97 eV View
11 -14.27 eV View
12 -13.96 eV View
13 -13.78 eV View
14 -12.42 eV View
15 -11.64 eV View
16 -7.80 eV View
17 8.63 eV View
18 15.89 eV View
19 18.12 eV View
20 18.73 eV View
21 18.92 eV View
22 19.54 eV View
23 19.58 eV View
24 20.54 eV View
25 20.90 eV View
26 21.34 eV View
27 26.14 eV View
28 28.54 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 71.46 cm^-1 View
2 103.53 cm^-1 View
3 266.84 cm^-1 View
4 393.15 cm^-1 View
5 597.29 cm^-1 View
6 718.33 cm^-1 View
7 900.66 cm^-1 View
8 965.28 cm^-1 View
9 1000.96 cm^-1 View
10 1042.12 cm^-1 View
11 1055.99 cm^-1 View
12 1076.30 cm^-1 View
13 1120.00 cm^-1 View
14 1196.91 cm^-1 View
15 1291.75 cm^-1 View
16 1379.94 cm^-1 View
17 1389.95 cm^-1 View
18 1394.09 cm^-1 View
19 1398.57 cm^-1 View
20 1409.09 cm^-1 View
21 1452.17 cm^-1 View
22 1880.57 cm^-1 View
23 3039.35 cm^-1 View
24 3052.89 cm^-1 View
25 3057.72 cm^-1 View
26 3059.62 cm^-1 View
27 3079.30 cm^-1 View
28 3079.71 cm^-1 View
29 3166.13 cm^-1 View
30 3169.52 cm^-1 View