【Density】
0.951g/cm3
【Melting Point】
12-13?°C(lit.)
【Boiling Point】
126-128?°C2?mm Hg(lit.)
【Refractive Index】
n20/D 1.46(lit.)
【Flash Point】
121.9°C
【Computed Properties】
Molecular Weight:192.72614 [g/mol]
Molecular Formula:C10H21ClO
XLogP3:3.8
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:9
Exact Mass:192.128093
MonoIsotopic Mass:192.128093
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Formal Charge:0
Complexity:76.2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:428
Safety and Handling
【Hazard Codes】
Xi
【Risk Statements】
36/37/38
【Safety Statements 】
26-37/39