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2-Oxepanone

Catalog Number
ACM24980414-6
CAS Number
24980-41-4
Product Name
2-Oxepanone
Category
Polymers
Synonyms
Polycaprolactone,viscosity;Polycaprolactone;
Description
Polycaprolactone (PCL) is a biodegradable polyester with a low melting point of around 60°C and a glass transition temperature of about −60°C. The most common use of polycaprolactone is in the manufacture of speciality polyurethanes. Polycaprolactones impart good water, oil, solvent and chlorine resistance to the polyurethane produced.
IUPAC Name
oxepan-2-one
Molecular Weight
114.14g/mol
Molecular Formula
C6H10O2
Canonical SMILES
C1CCC(=O)OCC1
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChI Key
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Boiling Point
215.0 °C;237 °C
Melting Point
60ºC(lit.)
Flash Point
84.8ºC
Density
1.021 g/cm³
Solubility
Solubility in water: miscible
Complexity
88.5
Covalently-Bonded Unit Count
1
EC Number
207-938-1
Exact Mass
114.06808g/mol
Formal Charge
0
Heavy Atom Count
8
ICSC Number
1741
Log P
1.10360
MDL Number
MFCD00084404
MeSH Entry Terms
caprolactone;epsilon-caprolactone;epsilon-captolactamium hydrogen sulfate
Monoisotopic Mass
114.06808g/mol
Other Experimental
Henry's Law constant= 1.809X10-4 atm-cu m/mole at 25 °C (est)
Refractive Index
1.439
Rotatable Bond Count
0
UNII
56RE988L1R
Vapor Density
Relative vapor density (air = 1): 3.9
Vapor Pressure
0.0866mmHg at 25°C
WGK Germany
3
XLogP3
0
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