MolCalcThe Molecule Calculator

Acetic 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	166.95	kJ mol^-1
Total (Trans. + Rot. + Vib.)	176.86	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	37.23	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	70.49	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.81	J mol^-1 K^-1
Rotational	99.82	J mol^-1 K^-1
Vibrational	28.63	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	288.27	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-415.52	kJ mol^-1

Molecular Orbitals

1 -552.37 eV View
2 -550.98 eV View
3 -303.96 eV View
4 -301.47 eV View
5 -37.66 eV View
6 -34.56 eV View
7 -26.63 eV View
8 -20.02 eV View
9 -17.78 eV View
10 -16.17 eV View
11 -15.83 eV View
12 -13.65 eV View
13 -13.53 eV View
14 -12.42 eV View
15 -9.25 eV View
16 -9.23 eV View
17 8.48 eV View
18 15.73 eV View
19 16.90 eV View
20 17.53 eV View
21 18.62 eV View
22 19.35 eV View
23 22.54 eV View
24 27.66 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 96.38 cm^-1 View
2 405.29 cm^-1 View
3 430.35 cm^-1 View
4 524.19 cm^-1 View
5 566.72 cm^-1 View
6 958.21 cm^-1 View
7 982.51 cm^-1 View
8 1006.30 cm^-1 View
9 1298.76 cm^-1 View
10 1358.97 cm^-1 View
11 1384.21 cm^-1 View
12 1395.71 cm^-1 View
13 1444.55 cm^-1 View
14 1995.40 cm^-1 View
15 3083.36 cm^-1 View
16 3088.53 cm^-1 View
17 3177.79 cm^-1 View
18 3891.66 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-24.52	kJ mol^-1
Polar Solvation Energy	-32.88	kJ mol^-1
Nonpolar Solvation Energy	8.36	kJ mol^-1

Surface Area	72.33	Å²
Charge of Molecule	0
Dipole	5.20	Debye