MolCalcThe Molecule Calculator

Methyl formate

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	160.75	kJ mol^-1
Total (Trans. + Rot. + Vib.)	170.66	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	35.84	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	69.09	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.81	J mol^-1 K^-1
Rotational	98.72	J mol^-1 K^-1
Vibrational	27.57	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	286.11	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-363.80	kJ mol^-1

Molecular Orbitals

1 -552.39 eV View
2 -551.55 eV View
3 -304.16 eV View
4 -302.34 eV View
5 -37.80 eV View
6 -34.97 eV View
7 -25.25 eV View
8 -20.66 eV View
9 -17.96 eV View
10 -16.62 eV View
11 -15.52 eV View
12 -14.62 eV View
13 -13.33 eV View
14 -11.62 eV View
15 -9.58 eV View
16 -9.20 eV View
17 8.33 eV View
18 14.86 eV View
19 17.54 eV View
20 18.42 eV View
21 18.77 eV View
22 19.18 eV View
23 21.32 eV View
24 26.82 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 150.61 cm^-1 View
2 261.56 cm^-1 View
3 310.22 cm^-1 View
4 649.64 cm^-1 View
5 926.51 cm^-1 View
6 968.79 cm^-1 View
7 1011.62 cm^-1 View
8 1055.39 cm^-1 View
9 1137.93 cm^-1 View
10 1305.74 cm^-1 View
11 1350.50 cm^-1 View
12 1362.26 cm^-1 View
13 1364.21 cm^-1 View
14 1943.97 cm^-1 View
15 2963.36 cm^-1 View
16 3060.01 cm^-1 View
17 3089.56 cm^-1 View
18 3142.29 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-10.43	kJ mol^-1
Polar Solvation Energy	-18.47	kJ mol^-1
Nonpolar Solvation Energy	8.03	kJ mol^-1

Surface Area	78.25	Å²
Charge of Molecule	0
Dipole	2.00	Debye