Compound Structure

Glycol monoethyl ether acetate

CAS Number: 111-15-9

Molecular Mass: 132.16 g/mol

Formula: C6H12O3

Smiles: CCOCCOC(C)=O

Melting point: -61.7 °C

Boiling point: 156.4 °C

Density: 0.974 g/cm3

Dipole moment: 2.25 D

Refractive index: 1.4054

Molecule 3D descriptors

Descriptor Value
PMI1 87.0752
PMI2 887.9431
PMI3 925.3719
NPR1 0.0941
NPR2 0.9596
RadiusOfGyration 2.6814
InertialShapeFactor 0.0110
Eccentricity 0.9956
Asphericity 0.7451
SpherocityIndex 0.1765
PBF 0.5977