MolCalcThe Molecule Calculator

Methanol

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	133.72	kJ mol^-1
Total (Trans. + Rot. + Vib.)	143.64	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	12.97	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	46.23	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	151.98	J mol^-1 K^-1
Rotational	79.18	J mol^-1 K^-1
Vibrational	7.12	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	238.28	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-216.84	kJ mol^-1

Molecular Orbitals

1 -551.17 eV View
2 -301.75 eV View
3 -35.30 eV View
4 -23.88 eV View
5 -17.04 eV View
6 -15.73 eV View
7 -14.30 eV View
8 -11.26 eV View
9 -9.67 eV View
10 16.38 eV View
11 18.06 eV View
12 19.05 eV View
13 19.68 eV View
14 21.12 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 304.76 cm^-1 View
2 988.79 cm^-1 View
3 1021.68 cm^-1 View
4 1163.51 cm^-1 View
5 1361.51 cm^-1 View
6 1365.59 cm^-1 View
7 1366.18 cm^-1 View
8 1407.78 cm^-1 View
9 3035.70 cm^-1 View
10 3068.59 cm^-1 View
11 3141.05 cm^-1 View
12 3895.14 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-5.57	kJ mol^-1
Polar Solvation Energy	-10.71	kJ mol^-1
Nonpolar Solvation Energy	5.14	kJ mol^-1

Surface Area	57.47	Å²
Charge of Molecule	0
Dipole	1.68	Debye