MolCalcThe Molecule Calculator

Cyclobutane

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	293.12	kJ mol^-1
Total (Trans. + Rot. + Vib.)	303.03	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	34.15	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	67.41	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	158.96	J mol^-1 K^-1
Rotational	98.85	J mol^-1 K^-1
Vibrational	15.71	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	273.53	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-15.82	kJ mol^-1

Molecular Orbitals

1 -300.19 eV View
2 -300.18 eV View
3 -300.18 eV View
4 -300.17 eV View
5 -29.30 eV View
6 -23.32 eV View
7 -23.32 eV View
8 -19.09 eV View
9 -16.90 eV View
10 -16.43 eV View
11 -13.66 eV View
12 -13.66 eV View
13 -12.41 eV View
14 -11.09 eV View
15 -10.70 eV View
16 -10.70 eV View
17 14.57 eV View
18 16.06 eV View
19 16.06 eV View
20 17.92 eV View
21 17.99 eV View
22 19.64 eV View
23 19.64 eV View
24 20.45 eV View
25 20.46 eV View
26 20.94 eV View
27 24.50 eV View
28 25.22 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 198.57 cm^-1 View
2 794.37 cm^-1 View
3 802.17 cm^-1 View
4 847.42 cm^-1 View
5 847.57 cm^-1 View
6 982.57 cm^-1 View
7 1011.58 cm^-1 View
8 1011.62 cm^-1 View
9 1038.28 cm^-1 View
10 1040.89 cm^-1 View
11 1107.22 cm^-1 View
12 1107.26 cm^-1 View
13 1143.52 cm^-1 View
14 1194.99 cm^-1 View
15 1208.99 cm^-1 View
16 1260.04 cm^-1 View
17 1289.79 cm^-1 View
18 1289.83 cm^-1 View
19 1410.11 cm^-1 View
20 1416.05 cm^-1 View
21 1416.13 cm^-1 View
22 1458.88 cm^-1 View
23 3027.14 cm^-1 View
24 3040.14 cm^-1 View
25 3040.19 cm^-1 View
26 3056.06 cm^-1 View
27 3108.69 cm^-1 View
28 3108.72 cm^-1 View
29 3110.04 cm^-1 View
30 3113.11 cm^-1 View