MolCalcThe Molecule Calculator

Butane

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	350.04	kJ mol^-1
Total (Trans. + Rot. + Vib.)	359.96	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	57.58	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	90.84	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.40	J mol^-1 K^-1
Rotational	102.44	J mol^-1 K^-1
Vibrational	46.93	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	308.77	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-121.48	kJ mol^-1

Molecular Orbitals

1 -300.40 eV View
2 -300.39 eV View
3 -300.18 eV View
4 -300.18 eV View
5 -28.16 eV View
6 -25.67 eV View
7 -22.34 eV View
8 -20.49 eV View
9 -16.54 eV View
10 -15.13 eV View
11 -14.80 eV View
12 -14.58 eV View
13 -13.16 eV View
14 -12.50 eV View
15 -11.89 eV View
16 -11.50 eV View
17 -11.29 eV View
18 16.01 eV View
19 16.45 eV View
20 18.14 eV View
21 18.18 eV View
22 18.40 eV View
23 19.93 eV View
24 20.32 eV View
25 20.48 eV View
26 20.75 eV View
27 21.35 eV View
28 21.45 eV View
29 21.90 eV View
30 22.31 eV View

Vibrational Frequencies

Vibration
Vectors
Balls