Molecule SMILES: OC1CC1OC1COC1
Rotational constants A, B, C (GHz): 3.8313, 0.88988, 0.85536
Dipole moment mu (Debye): 2.3612
Isotropic polarizability alpha (Bohr^3): 71.71
HOMO energy (Hartree): -0.244
LUMO energy (Hartree): 0.0645
HOMO-LUMO gap (Hartree): 0.3085
Electronic spatial extent r2 (Bohr^2): 1403.3111
Zero-point vibrational energy (Hartree): 0.157692
Internal energy at 0 K (Hartree): -460.097221
Internal energy at 298.15 K (Hartree): -460.088224
Enthalpy at 298.15 K (Hartree): -460.087279
Free energy at 298.15 K (Hartree): -460.13232
Heat capacity at 298.15 K (cal/mol K): 32.671
Atomization energy at 0 K (kcal/mol): -1769.6519360981
Atomization energy at 298.15 K (kcal/mol): -1780.8925048151
Atomization enthalpy at 298.15 K (kcal/mol): -1791.5607853241
Atomization free energy at 298.15 K (kcal/mol): -1641.909928968