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Dioctyl Adipate

Catalog Number
ACMA00016946
Product Name
Dioctyl Adipate
Category
Polymers
Description
Liquid;COLOURLESS-TO-YELLOW LIQUID.;Clear colourless liquid; Slight fatty aroma
IUPAC Name
dioctyl hexanedioate
Molecular Weight
370.6g/mol
Molecular Formula
C22H42O4;C22H42O4
Canonical SMILES
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
InChI
InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key
NEHDRDVHPTWWFG-UHFFFAOYSA-N
Boiling Point
Normal Boiling Point: 404.84 °C (687 K);417 °C
Melting Point
-70.0 °C;Mp 9.5-9.8 °;7.49 °C (280.65 K);9.5-9.8°C;-67.8 °C
Flash Point
196 °C c.c.
Density
1.2145X10+8 kmol/cu m @ 7.49 °C (280.65 K);Relative density (water = 1): 0.92;0.924-0.930 (20?°)
Solubility
2.10e-06 M;INSOL IN WATER @ 25 °C; INSOL OR VERY SLIGHTLY SOL IN GLYCERINE & GLYCOLS; SOL IN MOST ORGANIC SOLVENTS;In water, 0.78 mg/l @ 22 °C;Solubility in water, g/100ml at 20 °C: (none);Practically insoluble or insoluble in water;Soluble (in ethanol)
Color/Form
COLORLESS OR VERY PALE AMBER LIQUID;Clear liquid
Complexity
296
Covalently-Bonded Unit Count
1
EC Number
204-652-9
Exact Mass
370.30831g/mol
Formal Charge
0
Heat of Vaporization
6.73X10-8 J/kmol
Heavy Atom Count
26
ICSC Number
1292
Log P
8.1 (calculated)
MeSH Entry Terms
dioctyl hexanedioate
Monoisotopic Mass
370.30831g/mol
NSC Number
16201
Odor
SLIGHT, AROMATIC SMELL
Refractive Index
n20D 1.4462;Index of refraction: 1.45 (determined at 293 K);1.444-1.450
Rotatable Bond Count
21
UNII
2BD76YG9SI
UN Number
3082
Vapor Density
Relative vapor density (air = 1): 12.8
Vapor Pressure
8.50e-07 mmHg;8.50X10-7 mm Hg @ 20 °C;Vapor pressure, kPa at 20 °C: 0.11
Viscosity
1.89X10-2 Pa sec @ 7.49 °C (280.65 K);12.4 mm2/s at 25 °C
XLogP3
7.4
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