Molecule SMILES: CCCCCCCOC
Rotational constants A, B, C (GHz): 10.23618, 0.35143, 0.34558
Dipole moment mu (Debye): 0.9563
Isotropic polarizability alpha (Bohr^3): 95.49
HOMO energy (Hartree): -0.2494
LUMO energy (Hartree): 0.0887
HOMO-LUMO gap (Hartree): 0.3381
Electronic spatial extent r2 (Bohr^2): 3233.7744
Zero-point vibrational energy (Hartree): 0.249992
Internal energy at 0 K (Hartree): -390.696184
Internal energy at 298.15 K (Hartree): -390.683954
Enthalpy at 298.15 K (Hartree): -390.68301
Free energy at 298.15 K (Hartree): -390.735225
Heat capacity at 298.15 K (cal/mol K): 42.216
Atomization energy at 0 K (kcal/mol): -2417.4878351351
Atomization energy at 298.15 K (kcal/mol): -2433.8093442251
Atomization enthalpy at 298.15 K (kcal/mol): -2449.222220283
Atomization free energy at 298.15 K (kcal/mol): -2239.2476687391