CAS 1321-74-0 Divinylbenzene, 80% Mixture of Isomers

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Divinylbenzene, 80% Mixture of Isomers

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Catalog Number

ACM1321740-7

CAS Number

1321-74-0

Product Name

Divinylbenzene, 80% Mixture of Isomers

Structure

Category

Plastic Additives

Description

Divinyl benzene appears as a water-white to straw colored liquid. Slightly less dense than water and insoluble in water. Vapors may be toxic. Used in making rubber.;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Pale, straw-colored liquid.;Pale, straw-colored liquid.

IUPAC Name

1,2-bis(ethenyl)benzene

Molecular Weight

130.19g/mol

Molecular Formula

C10H10;C6H4(CH=CH2)2;C10H10

Canonical SMILES

C=CC1=CC=CC=C1C=C

InChI

InChI=1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h3-8H,1-2H2

InChI Key

MYRTYDVEIRVNKP-UHFFFAOYSA-N

Boiling Point

383 °F at 760 mm Hg (NTP, 1992);392 °F (200 °C);195 °C;392°F;392°F

Melting Point

-125 °F (NTP, 1992);Freezing point: -88 °F (-67 °C);-66.9 - -52 °C;-125°F;-88°F

Flash Point

143 °F (NTP, 1992);169 °F (76 °C) (open cup);57 °C (Cleveland open-cup) /DVB-22/;74 °C (Cleveland open-cup) /DVB-55/;76 °C o.c.;169°F (open cup);(oc) 169°F

Density

0.93 (NIOSH, 2016);Relative density (water = 1): 0.9;0.93;0.93

Solubility

less than 1 mg/mL at 64° F (NTP, 1992);In water, 52 mg/l @ 25 °C /Estimated/;Solubility in water: none;0.005%

Color/Form

Pale, straw-colored liquid.

Complexity

108

Covalently-Bonded Unit Count

EC Number

215-325-5;202-043-2;618-372-3

Exact Mass

130.07825g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0885

Log P

log Kow = 3.8 /Estimated/;3.59 (estimated)

MeSH Entry Terms

1,2-divinylbenzene;divinyl benzene;divinylbenzene

Monoisotopic Mass

130.07825g/mol

Other Experimental

Commercial product contains all three isomers, but the m-isomer predominates. Usually contains an inhibitor to prevent polymerization.;The commercial form contains the three isomeric forms together with ethylvinylbenzene and diethylbenzene.;Molecular weight: 130.08; refractive index: 1.5326 @ 25 °C/D; viscosity: 0.883 cP @ 25 °C; surface tension: 30.55 dyn/cm @ 25 °C; density: 0.8979 g/cu cm @ 20 °C; boiling point: 180 °C (calculated); critical pressure: 2.45 MPa (calculated); critical temperature: 348 °C (calculated); latent heat of vaporization: 320.49 J/g at boiling point; water solubility: 0.0065 % @ 25 °C; infinitely soluble in acetone, carbon tetrachloride, benzene, ethanol /22% Divinylbenzene/;Molecular weight: 130.18; refractive index: 1.5585 @ 25 °C/D; viscosity: 1.007 cP @ 25 °C; surface tension: 32.10 dyn/cm @ 25 °C; density: 0.9126 g/cu cm @ 20 °C; boiling point: 195 °C (calculated); freezing point: -45 °C; critical pressure: 2.45 MPa (calculated); critical temperature: 369 °C (calculated); latent heat of vaporization: 350.62 J/g at boiling point; water solubility: 0.0052 % @ 25 °C; infinitely soluble in acetone, carbon tetrachloride, benzene, ethanol /55% Divinylbenzene/;Molecular weight: 130.19; boiling point: 82 °C @ 14 mm Hg; density: 0.9325 g/cu cm at 22 °C; refractive index: 1.5767 @ 20 °C/D; soluble in acetone, benzene /o-Divinylbenzene/;Molecular weight: 130.19; melting point: -52.3 °C; boiling point: 121 °C @ 76 mm Hg, 52 °C @ 3 mm Hg; density: 0.9294 g/cu cm @ 20 °C; refractive index: 1.5760 @ 20 °C/D; soluble in acetone, benzene /m-Divinylbenzene/;Molecular weight: 130.19; melting point: 31 °C; boiling point: 95 °C @ 18 mm Hg, 34 °C @ 0.2 mm Hg; density: 0.913 g/cu cm @ 40 °C; refractive index: 1.5835 @ 25 °C/D; soluble in acetone, benzene /p-Divinylbenzene/;Water-white liquid; easily polymerized; boiling point: 199.5 °C; freezing point: -66.90 °C; viscosity: 1.09 cP @ 20 °C; soluble in methanol, ether /m-Divinylbenzene/;Boiling point: 178.5 °C; insoluble in water, slightly soluble in alcohol, ether; conversion factor: 5.33 mg/ cu m = 1 ppm /o-Divinylbenzene/;Vapor density: 4.48 (air=1); vapor pressure: 1 mm Hg; conversion factor: 5.33 mg/ cu m = 1 ppm /m-Divinylbenzene/;Boiling point: 83.6 °C; slightly soluble in alcohol, ether; conversion factor: 5.33 mg/ cu m = 1 ppm /p-Divinylbenzene/;Water solubility: 20 mg/l; log Kow: 4.15 /m-Divinylbenzene/;Water solubility: 8.2 mg/l; log Kow: 4.18 /p-Divinylbenzene/;MASS: 591 (Atlas of Mass Spectral Data, John Wiley & Sons, New York); IR: 207 (Coblentz Society Spectral Collection) /p-Divinylbenzene/;MASS: 76 (Aldermaston, Eight Peak Index of Mass Spectra, U.K.; UV: 4-273 (Philip et al, Organic Electronic Spectral Data, John Wiley & Sons, New York) /o-Divinylbenzene/;MASS: 591 (Atlas of Mass Spectral Data, John Wiley & Sons, New York); MASS: 2811 (NIST/EPA/MCMD Mass Spectral Database 1990 version) /m-Divinylbenzene/;VP: 0.579 mm Hg @ 25 °C /m-Divinylbenzene/ /Extrapolated/

Rotatable Bond Count

RTECS Number

CZ9370000

UNII

8Z4W41DJ9H

UN Number

1993;1993;2049

Vapor Density

Relative vapor density (air = 1): 4.48

Vapor Pressure

0.7 mm Hg (NIOSH, 2016);0.579 mm Hg @ 25 °C /meta-isomer/;Vapor pressure, Pa at 32.7 °C: 133;0.7 mmHg;0.7 mmHg

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