Compound Structure

Isoamyl Acetate

CAS Number: 123-92-2

Molecular Mass: 130.18 g/mol

Formula: C7H14O2

Smiles: CC(=O)OCCC(C)C

Melting point: 505.2 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.7

Molecule 3D descriptors

Descriptor Value
PMI1 135.7738
PMI2 695.5237
PMI3 770.6256
NPR1 0.1762
NPR2 0.9025
RadiusOfGyration 2.4804
InertialShapeFactor 0.0066
Eccentricity 0.9844
Asphericity 0.5627
SpherocityIndex 0.2354
PBF 0.6470