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epsilon-Caprolactone

Catalog Number
ACM502443-2
CAS Number
502-44-3
Product Name
epsilon-Caprolactone
Structure
Category
Polymers
Description
Liquid;COLOURLESS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR.
IUPAC Name
oxepan-2-one
Molecular Weight
114.14g/mol
Molecular Formula
C6H10O2;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
-18.0 °C;-1.5 °C
Flash Point
127 °C o.c.
Density
1.07 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
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
log Kow= 1.215 (calc);0.68
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)
Rotatable Bond Count
0
UNII
56RE988L1R
Vapor Density
Relative vapor density (air = 1): 3.9
Vapor Pressure
0.13 mmHg;1.35X10-1 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 0.8
XLogP3
0
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