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	161.02	kJ mol^-1
Total (Trans. + Rot. + Vib.)	170.93	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	36.20	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	69.46	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	159.81	J mol^-1 K^-1
Rotational	97.49	J mol^-1 K^-1
Vibrational	32.75	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	290.05	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	-356.03	kJ mol^-1

Molecular Orbitals

1 -552.61 eV View
2 -551.66 eV View
3 -304.04 eV View
4 -302.42 eV View
5 -37.85 eV View
6 -34.98 eV View
7 -24.90 eV View
8 -21.35 eV View
9 -17.85 eV View
10 -16.74 eV View
11 -16.08 eV View
12 -13.89 eV View
13 -13.44 eV View
14 -11.91 eV View
15 -9.55 eV View
16 -9.12 eV View
17 8.29 eV View
18 15.40 eV View
19 16.13 eV View
20 18.21 eV View
21 18.55 eV View
22 19.17 eV View
23 21.09 eV View
24 27.23 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 118.81 cm^-1 View
2 156.76 cm^-1 View
3 352.16 cm^-1 View
4 591.73 cm^-1 View
5 941.28 cm^-1 View
6 1006.86 cm^-1 View
7 1012.42 cm^-1 View
8 1111.08 cm^-1 View
9 1148.03 cm^-1 View
10 1317.38 cm^-1 View
11 1356.03 cm^-1 View
12 1358.99 cm^-1 View
13 1380.83 cm^-1 View
14 1964.94 cm^-1 View
15 2921.83 cm^-1 View
16 3051.97 cm^-1 View
17 3081.60 cm^-1 View
18 3145.71 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-20.59	kJ mol^-1
Polar Solvation Energy	-28.92	kJ mol^-1
Nonpolar Solvation Energy	8.32	kJ mol^-1

Surface Area	79.99	Å²
Charge of Molecule	0
Dipole	4.74	Debye