Compound Structure

Glycol monopropyl ether

CAS Number: 2807-30-9

Molecular Mass: 104.15 g/mol

Formula: C5H12O2

Smiles: CCCOCCO

Melting point: -90.0 °C

Boiling point: 149.8 °C

Density: 0.9112 g/cm3

Dipole moment: - D

Refractive index: 1.412

Density as a function of temperature

Temperature [K] Density Reference Comment
288.15 0.915949 10.1016/j.jct.2016.07.002 -
293.15 0.911592 10.1016/j.jct.2016.07.002 -
298.15 0.90819 10.1080/00319104.2014.890898 -
303.15 0.902807 10.1016/j.jct.2016.07.002 -
308.15 0.898373 10.1016/j.jct.2016.07.002 -
313.15 0.893908 10.1016/j.jct.2016.07.002 -
318.15 0.889409 10.1016/j.jct.2016.07.002 -

Molecule 3D descriptors

Descriptor Value
PMI1 57.3145
PMI2 567.9300
PMI3 589.8597
NPR1 0.0972
NPR2 0.9628
RadiusOfGyration 2.4153
InertialShapeFactor 0.0168
Eccentricity 0.9953
Asphericity 0.7380
SpherocityIndex 0.1847
PBF 0.5543