MolCalcThe Molecule Calculator

Formic acid

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	87.34	kJ mol^-1
Total (Trans. + Rot. + Vib.)	97.26	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	15.27	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	48.52	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	156.50	J mol^-1 K^-1
Rotational	87.93	J mol^-1 K^-1
Vibrational	7.11	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	251.54	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-376.67	kJ mol^-1

Molecular Orbitals

1 -552.71 eV View
2 -551.56 eV View
3 -304.13 eV View
4 -37.91 eV View
5 -34.87 eV View
6 -21.47 eV View
7 -19.25 eV View
8 -14.71 eV View
9 -14.69 eV View
10 -12.88 eV View
11 -9.66 eV View
12 -9.58 eV View
13 8.37 eV View
14 16.14 eV View
15 16.39 eV View
16 21.04 eV View
17 26.90 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 416.30 cm^-1 View
2 548.53 cm^-1 View
3 938.24 cm^-1 View
4 1070.74 cm^-1 View
5 1248.90 cm^-1 View
6 1348.04 cm^-1 View
7 1962.38 cm^-1 View
8 2911.76 cm^-1 View
9 3902.11 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-31.29	kJ mol^-1
Polar Solvation Energy	-37.24	kJ mol^-1
Nonpolar Solvation Energy	5.94	kJ mol^-1

Surface Area	63.96	Å²
Charge of Molecule	0
Dipole	4.83	Debye