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	87.41	kJ mol^-1
Total (Trans. + Rot. + Vib.)	97.33	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	14.58	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	47.84	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	156.50	J mol^-1 K^-1
Rotational	88.14	J mol^-1 K^-1
Vibrational	6.05	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	250.69	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-394.61	kJ mol^-1

Molecular Orbitals

1 -552.46 eV View
2 -551.48 eV View
3 -304.30 eV View
4 -37.99 eV View
5 -34.78 eV View
6 -22.22 eV View
7 -17.51 eV View
8 -16.04 eV View
9 -14.73 eV View
10 -12.71 eV View
11 -9.70 eV View
12 -9.63 eV View
13 8.28 eV View
14 15.51 eV View
15 18.10 eV View
16 20.74 eV View
17 26.42 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 487.48 cm^-1 View
2 578.42 cm^-1 View
3 947.69 cm^-1 View
4 985.75 cm^-1 View
5 1272.38 cm^-1 View
6 1361.28 cm^-1 View
7 1943.53 cm^-1 View
8 2974.15 cm^-1 View
9 3838.98 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-16.82	kJ mol^-1
Polar Solvation Energy	-21.98	kJ mol^-1
Nonpolar Solvation Energy	5.18	kJ mol^-1

Surface Area	63.56	Å²
Charge of Molecule	0
Dipole	1.93	Debye