Compound Structure

Octyl Acetate

CAS Number: 112-14-1

Molecular Mass: 186.29 g/mol

Formula: C11H22O2

Smiles: CCCCCCCCCOC(C)=O

Melting point: -26.0 °C

Boiling point: 308.2 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: -0.002

Molecule 3D descriptors

Descriptor Value
PMI1 219.8647
PMI2 2780.3792
PMI3 2882.8870
NPR1 0.0763
NPR2 0.9644
RadiusOfGyration 3.9736
InertialShapeFactor 0.0044
Eccentricity 0.9971
Asphericity 0.7892
SpherocityIndex 0.1023
PBF 0.5829