MolCalcThe Molecule Calculator

Chloroethane

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	174.27	kJ mol^-1
Total (Trans. + Rot. + Vib.)	184.19	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	28.68	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	61.94	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	160.62	J mol^-1 K^-1
Rotational	97.94	J mol^-1 K^-1
Vibrational	19.02	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	277.57	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-92.19	kJ mol^-1

Molecular Orbitals

1 -2818.86 eV View
2 -302.39 eV View
3 -301.00 eV View
4 -280.17 eV View
5 -210.58 eV View
6 -210.43 eV View
7 -210.43 eV View
8 -29.25 eV View
9 -25.59 eV View
10 -21.72 eV View
11 -16.75 eV View
12 -15.62 eV View
13 -14.28 eV View
14 -13.34 eV View
15 -12.03 eV View
16 -9.67 eV View
17 -9.66 eV View
18 10.69 eV View
19 16.25 eV View
20 17.62 eV View
21 18.64 eV View
22 19.70 eV View
23 20.12 eV View
24 20.40 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 177.29 cm^-1 View
2 338.35 cm^-1 View
3 635.08 cm^-1 View
4 822.79 cm^-1 View
5 1013.76 cm^-1 View
6 1034.62 cm^-1 View
7 1127.76 cm^-1 View
8 1135.99 cm^-1 View
9 1254.63 cm^-1 View
10 1365.96 cm^-1 View
11 1394.58 cm^-1 View
12 1402.89 cm^-1 View
13 1420.57 cm^-1 View
14 3006.48 cm^-1 View
15 3064.09 cm^-1 View
16 3084.60 cm^-1 View
17 3086.16 cm^-1 View
18 3182.49 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	0.00	kJ mol^-1
Polar Solvation Energy	0.00	kJ mol^-1
Nonpolar Solvation Energy	0.00	kJ mol^-1

Surface Area		Å²
Charge of Molecule	0
Dipole	0.00	Debye