MolCalcThe Molecule Calculator

Cyclopropane

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	214.05	kJ mol^-1
Total (Trans. + Rot. + Vib.)	223.96	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	19.47	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	52.73	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	155.37	J mol^-1 K^-1
Rotational	90.70	J mol^-1 K^-1
Vibrational	5.04	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	251.11	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	68.04	kJ mol^-1

Molecular Orbitals

1 -300.36 eV View
2 -300.36 eV View
3 -300.36 eV View
4 -29.60 eV View
5 -21.25 eV View
6 -21.25 eV View
7 -17.06 eV View
8 -16.25 eV View
9 -12.72 eV View
10 -12.72 eV View
11 -10.56 eV View
12 -10.56 eV View
13 13.60 eV View
14 14.72 eV View
15 18.56 eV View
16 18.96 eV View
17 18.96 eV View
18 22.05 eV View
19 22.05 eV View
20 22.45 eV View
21 22.45 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 799.73 cm^-1 View
2 800.49 cm^-1 View
3 871.79 cm^-1 View
4 961.91 cm^-1 View
5 975.81 cm^-1 View
6 975.93 cm^-1 View
7 1126.21 cm^-1 View
8 1126.27 cm^-1 View
9 1163.32 cm^-1 View
10 1163.50 cm^-1 View
11 1182.30 cm^-1 View
12 1355.00 cm^-1 View
13 1404.52 cm^-1 View
14 1404.56 cm^-1 View
15 1575.23 cm^-1 View
16 3085.62 cm^-1 View
17 3085.62 cm^-1 View
18 3106.11 cm^-1 View
19 3138.25 cm^-1 View
20 3138.28 cm^-1 View
21 3139.71 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	8.99	kJ mol^-1
Polar Solvation Energy	-1.26	kJ mol^-1
Nonpolar Solvation Energy	10.28	kJ mol^-1

Surface Area	66.57	Å²
Charge of Molecule	0
Dipole	0.00	Debye