MolCalcThe Molecule Calculator

(e)-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	288.04	kJ mol^-1
Total (Trans. + Rot. + Vib.)	297.95	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	52.56	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	85.82	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	158.96	J mol^-1 K^-1
Rotational	100.59	J mol^-1 K^-1
Vibrational	44.37	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	303.93	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-15.77	kJ mol^-1

Molecular Orbitals

1 -300.36 eV View
2 -300.36 eV View
3 -299.72 eV View
4 -299.70 eV View
5 -28.04 eV View
6 -25.65 eV View
7 -22.55 eV View
8 -19.09 eV View
9 -15.47 eV View
10 -15.38 eV View
11 -14.74 eV View
12 -14.22 eV View
13 -13.18 eV View
14 -12.41 eV View
15 -11.88 eV View
16 -7.81 eV View
17 8.77 eV View
18 16.15 eV View
19 18.03 eV View
20 18.98 eV View
21 19.42 eV View
22 19.58 eV View
23 19.84 eV View
24 19.99 eV View
25 20.21 eV View
26 21.09 eV View
27 25.87 eV View
28 28.96 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 121.39 cm^-1 View
2 143.02 cm^-1 View
3 235.48 cm^-1 View
4 310.24 cm^-1 View
5 533.92 cm^-1 View
6 815.49 cm^-1 View
7 914.18 cm^-1 View
8 941.34 cm^-1 View
9 986.58 cm^-1 View
10 992.38 cm^-1 View
11 1047.00 cm^-1 View
12 1152.26 cm^-1 View
13 1200.03 cm^-1 View
14 1237.44 cm^-1 View
15 1245.96 cm^-1 View
16 1386.74 cm^-1 View
17 1393.90 cm^-1 View
18 1397.41 cm^-1 View
19 1397.49 cm^-1 View
20 1412.16 cm^-1 View
21 1439.34 cm^-1 View
22 1890.35 cm^-1 View
23 3039.37 cm^-1 View
24 3039.72 cm^-1 View
25 3069.61 cm^-1 View
26 3070.13 cm^-1 View
27 3075.01 cm^-1 View
28 3076.10 cm^-1 View
29 3169.26 cm^-1 View
30 3169.94 cm^-1 View