CAS 1330-61-6 Isodecyl acrylate,mixture of isomers

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Isodecyl acrylate,mixture of isomers

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Catalog Number

ACM1330616-3

CAS Number

1330-61-6

Product Name

Isodecyl acrylate,mixture of isomers

Structure

Category

Monomers

Description

Isodecyl acrylate is a colorless liquid with a weak odor. Floats on water. (USCG, 1999);Liquid

IUPAC Name

8-methylnonyl prop-2-enoate

Molecular Weight

212.33g/mol

Molecular Formula

C13H24O2

Canonical SMILES

CC(C)CCCCCCCOC(=O)C=C

InChI

InChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3

InChI Key

LVGFPWDANALGOY-UHFFFAOYSA-N

Boiling Point

158 °C @ 50 mm Hg

Melting Point

-148 °F (USCG, 1999);-100 °C

Flash Point

240 °F (USCG, 1999);240 °F (open cup)

Density

0.885 at 68 °F (USCG, 1999);0.885 @ 20 °C

Solubility

Negligible in water, <0.01% @ 20 °C;Solubility in water: 0.010 lb/100 lb at 68 °C

Color/Form

Colorless;Water-white liquid

Complexity

173

Covalently-Bonded Unit Count

EC Number

215-542-5

Exact Mass

212.17763g/mol

Formal Charge

Heat of Vaporization

LATENT HEAT OF VAPORIZATION: 110 BTU/LB= 61 CAL/G= 2.6X10+5 J/KG

Heavy Atom Count

Log P

log Kow = 5.07 /Estimated/

Monoisotopic Mass

212.17763g/mol

Odor

Weak acrylate;Pungent, characteristic, very slightly nauseating

Other Experimental

React readily with electrophilic, free-radical, and nucleophilic agent /Acrylic acid and esters/;FP: -148 °F= -100 °C= 173 K; liq-water interfacial tension: (est) 30 dynes/cm= 0.003 n/m @ 20 °C; heat of polymerization: (est) -119 btu/lb= -66 cal/g= -2.8x10+5 J/kg; liquid heat capacity= 0.461 btu/lb-f @ 70 °F; liquid thermal conductivity= 1.048 btu-in/hr-sq ft-f at 70 °F; saturated vapor pressure= 0.792 lb/sq in @ 304 °F;Polymerizes at boiling point; vapor pressure <0.01 mm Hg at 20 °C;Henry's Law constant: 1.2X10-3 atm-cu m/mol @ 25 °C /Estimated/;Hydroxyl radical reaction rate constant: 2.2X10-11 cu cm/molecule-sec @ 25 °C /Estimated/

Refractive Index

Index of refraction = 1.4416 @ 20 °C/D

Rotatable Bond Count

UNII

WET3U98PW2

UN Number

3082

Vapor Density

Saturated vapor density= 0.02053 lb/cu ft @ 304 °F

Vapor Pressure

0.023 mm Hg @ 25 °C /Estimated/

Viscosity