MolCalcThe Molecule Calculator

methane methane

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	250.91	kJ mol^-1
Total (Trans. + Rot. + Vib.)	260.83	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	45.23	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	78.49	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	151.99	J mol^-1 K^-1
Rotational	95.02	J mol^-1 K^-1
Vibrational	82.24	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	329.26	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-111.25	kJ mol^-1

Molecular Orbitals

1 -300.10 eV View
2 -300.10 eV View
3 -24.87 eV View
4 -24.63 eV View
5 -14.46 eV View
6 -14.21 eV View
7 -14.15 eV View
8 -14.05 eV View
9 -13.98 eV View
10 -13.73 eV View
11 19.05 eV View
12 19.25 eV View
13 19.46 eV View
14 19.48 eV View
15 19.63 eV View
16 19.90 eV View
17 20.16 eV View
18 21.20 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 22.23 cm^-1 View
2 43.09 cm^-1 View
3 68.31 cm^-1 View
4 71.31 cm^-1 View
5 82.54 cm^-1 View
6 191.63 cm^-1 View
7 1357.52 cm^-1 View
8 1359.79 cm^-1 View
9 1361.12 cm^-1 View
10 1361.37 cm^-1 View
11 1361.68 cm^-1 View
12 1367.40 cm^-1 View
13 1447.29 cm^-1 View
14 1448.38 cm^-1 View
15 1450.49 cm^-1 View
16 1454.36 cm^-1 View
17 3193.31 cm^-1 View
18 3195.02 cm^-1 View
19 3205.30 cm^-1 View
20 3205.66 cm^-1 View
21 3209.12 cm^-1 View
22 3209.56 cm^-1 View
23 3305.19 cm^-1 View
24 3306.98 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	17.64	kJ mol^-1
Polar Solvation Energy	-0.19	kJ mol^-1
Nonpolar Solvation Energy	17.85	kJ mol^-1

Surface Area	68.18	Å²
Charge of Molecule	0
Dipole	0.00	Debye