MolCalcThe Molecule Calculator

ethene ethene

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	277.87	kJ mol^-1
Total (Trans. + Rot. + Vib.)	287.78	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	69.93	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	103.19	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	158.96	J mol^-1 K^-1
Rotational	111.51	J mol^-1 K^-1
Vibrational	137.79	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	408.26	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	139.03	kJ mol^-1

Molecular Orbitals

1 -299.88 eV View
2 -299.88 eV View
3 -299.86 eV View
4 -299.85 eV View
5 -26.65 eV View
6 -26.64 eV View
7 -20.32 eV View
8 -20.31 eV View
9 -16.23 eV View
10 -16.23 eV View
11 -14.69 eV View
12 -14.68 eV View
13 -12.38 eV View
14 -12.38 eV View
15 -8.97 eV View
16 -8.92 eV View
17 8.79 eV View
18 8.83 eV View
19 16.65 eV View
20 16.66 eV View
21 18.98 eV View
22 18.98 eV View
23 19.19 eV View
24 19.20 eV View
25 25.38 eV View
26 25.39 eV View
27 27.48 eV View
28 27.48 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 15.47 cm^-1 View
2 19.62 cm^-1 View
3 29.88 cm^-1 View
4 35.69 cm^-1 View
5 109.94 cm^-1 View
6 110.61 cm^-1 View
7 822.35 cm^-1 View
8 822.89 cm^-1 View
9 880.79 cm^-1 View
10 880.86 cm^-1 View
11 981.95 cm^-1 View
12 985.02 cm^-1 View
13 1053.84 cm^-1 View
14 1054.85 cm^-1 View
15 1093.25 cm^-1 View
16 1093.46 cm^-1 View
17 1306.81 cm^-1 View
18 1306.88 cm^-1 View
19 1327.81 cm^-1 View
20 1327.89 cm^-1 View
21 1828.70 cm^-1 View
22 1828.75 cm^-1 View
23 3127.96 cm^-1 View
24 3128.08 cm^-1 View
25 3136.88 cm^-1 View
26 3137.00 cm^-1 View
27 3145.55 cm^-1 View
28 3145.65 cm^-1 View
29 3156.67 cm^-1 View
30 3156.80 cm^-1 View