MolCalcThe Molecule Calculator

Chloromethane

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	97.76	kJ mol^-1
Total (Trans. + Rot. + Vib.)	107.68	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	8.19	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	41.45	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	157.53	J mol^-1 K^-1
Rotational	83.49	J mol^-1 K^-1
Vibrational	2.41	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	243.43	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-61.36	kJ mol^-1

Molecular Orbitals

1 -2819.28 eV View
2 -302.28 eV View
3 -280.54 eV View
4 -210.96 eV View
5 -210.80 eV View
6 -210.80 eV View
7 -28.84 eV View
8 -23.34 eV View
9 -15.83 eV View
10 -15.83 eV View
11 -13.05 eV View
12 -9.86 eV View
13 -9.86 eV View
14 10.99 eV View
15 18.02 eV View
16 18.02 eV View
17 18.89 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 677.98 cm^-1 View
2 1008.75 cm^-1 View
3 1009.13 cm^-1 View
4 1345.45 cm^-1 View
5 1383.84 cm^-1 View
6 1383.95 cm^-1 View
7 3122.94 cm^-1 View
8 3123.00 cm^-1 View
9 3193.66 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