Compound Structure

2-Octanol

CAS Number: 123-96-6

Molecular Mass: 130.23 g/mol

Formula: C8H18O

Smiles: CCCCCCC(C)O

Melting point: -31.6 °C

Boiling point: 179.0 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.7132

Molecule 3D descriptors

Descriptor Value
PMI1 110.8406
PMI2 1000.5766
PMI3 1032.5368
NPR1 0.1073
NPR2 0.9690
RadiusOfGyration 2.8690
InertialShapeFactor 0.0087
Eccentricity 0.9942
Asphericity 0.7145
SpherocityIndex 0.2352
PBF 0.7242