MolCalcThe Molecule Calculator

Ethane

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	196.47	kJ mol^-1
Total (Trans. + Rot. + Vib.)	206.38	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	17.72	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	50.98	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	151.18	J mol^-1 K^-1
Rotational	82.88	J mol^-1 K^-1
Vibrational	10.07	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	244.12	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-75.77	kJ mol^-1

Molecular Orbitals

1 -300.31 eV View
2 -300.30 eV View
3 -26.79 eV View
4 -21.93 eV View
5 -15.50 eV View
6 -15.50 eV View
7 -13.13 eV View
8 -12.29 eV View
9 -12.29 eV View
10 17.28 eV View
11 17.28 eV View
12 19.66 eV View
13 19.88 eV View
14 20.95 eV View
15 21.29 eV View
16 21.29 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 236.30 cm^-1 View
2 879.81 cm^-1 View
3 880.15 cm^-1 View
4 1120.34 cm^-1 View
5 1120.55 cm^-1 View
6 1138.10 cm^-1 View
7 1359.72 cm^-1 View
8 1408.50 cm^-1 View
9 1408.56 cm^-1 View
10 1413.85 cm^-1 View
11 1413.91 cm^-1 View
12 1444.41 cm^-1 View
13 3075.63 cm^-1 View
14 3076.16 cm^-1 View
15 3088.87 cm^-1 View
16 3089.41 cm^-1 View
17 3184.30 cm^-1 View
18 3186.02 cm^-1 View