Compound Structure

Sec-Butyl acetate

CAS Number: 105-46-4

Molecular Mass: 116.16 g/mol

Formula: C6H12O2

Smiles: CCC(C)OC(C)=O

Melting point: 509.7 °C

Boiling point: 404.4 °C

Density: - g/cm3

Dipole moment: - D

Refractive index: 10.6944

Molecule 3D descriptors

Descriptor Value
PMI1 172.5860
PMI2 380.4091
PMI3 466.3659
NPR1 0.3701
NPR2 0.8157
RadiusOfGyration 2.0947
InertialShapeFactor 0.0047
Eccentricity 0.9290
Asphericity 0.2635
SpherocityIndex 0.2661
PBF 0.5766