MolCalcThe Molecule Calculator

Urea

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	166.13	kJ mol^-1
Total (Trans. + Rot. + Vib.)	176.04	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	33.27	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	66.53	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.82	J mol^-1 K^-1
Rotational	99.76	J mol^-1 K^-1
Vibrational	18.30	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	277.88	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-171.16	kJ mol^-1

Molecular Orbitals

1 -548.94 eV View
2 -417.25 eV View
3 -417.25 eV View
4 -304.12 eV View
5 -35.25 eV View
6 -30.81 eV View
7 -29.84 eV View
8 -20.42 eV View
9 -18.05 eV View
10 -17.84 eV View
11 -15.86 eV View
12 -14.10 eV View
13 -12.75 eV View
14 -9.49 eV View
15 -8.46 eV View
16 -7.61 eV View
17 9.95 eV View
18 15.08 eV View
19 17.06 eV View
20 18.44 eV View
21 19.98 eV View
22 20.60 eV View
23 24.70 eV View
24 28.30 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 40.81 cm^-1 View
2 276.46 cm^-1 View
3 422.75 cm^-1 View
4 454.40 cm^-1 View
5 543.41 cm^-1 View
6 789.72 cm^-1 View
7 981.01 cm^-1 View
8 1009.71 cm^-1 View
9 1012.59 cm^-1 View
10 1085.91 cm^-1 View
11 1417.42 cm^-1 View
12 1613.07 cm^-1 View
13 1616.65 cm^-1 View
14 1864.40 cm^-1 View
15 3484.50 cm^-1 View
16 3485.40 cm^-1 View
17 3544.72 cm^-1 View
18 3546.75 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-26.34	kJ mol^-1
Polar Solvation Energy	-35.73	kJ mol^-1
Nonpolar Solvation Energy	9.41	kJ mol^-1

Surface Area	73.77	Å²
Charge of Molecule	0
Dipole	5.27	Debye