ChemSpider 2D Image | DSDMA | C12H18O4S2

DSDMA

  • Molecular FormulaC12H18O4S2
  • Average mass290.399 Da
  • Monoisotopic mass290.064636 Da
  • ChemSpider ID13685072

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

253-234-2 [EINECS]
2-Propenoic acid, 2-methyl-, dithiodi-2,1-ethanediyl ester [ACD/Index Name]
36837-97-5 [RN]
Bis(2-methacryloyl)oxyethyl disulfide
Bis(2-méthylacrylate) de disulfanediyldi-2,1-éthanediyle [French] [ACD/IUPAC Name]
Disulfandiyldi-2,1-ethandiyl-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
Disulfanediyldi-2,1-ethanediyl bis(2-methylacrylate) [ACD/IUPAC Name]
Disulfide-based dimethacrylate
DSDMA
MFCD18785736
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 394.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 185.7±11.7 °C
Index of Refraction: 1.519
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 600.35
ACD/KOC (pH 5.5): 3391.44
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.35
ACD/KOC (pH 7.4): 3391.44
Polar Surface Area: 103 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  335.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000294  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.92
       log Kow used: 3.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.321 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Methacrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.28E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.259E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.74  (KowWin est)
  Log Kaw used:  -6.470  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.210
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9577
   Biowin2 (Non-Linear Model)     :   0.9991
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8379  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8867  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7589
   Biowin6 (MITI Non-Linear Model):   0.7121
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8305
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0392 Pa (0.000294 mm Hg)
  Log Koa (Koawin est  ): 10.210
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.65E-005 
       Octanol/air (Koa) model:  0.00398 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00276 
       Mackay model           :  0.00609 
       Octanol/air (Koa) model:  0.242 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 282.8498 E-12 cm3/molecule-sec
      Half-Life =     0.038 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.227 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec
      Half-Life =     0.504 Days (at 7E11 mol/cm3)
      Half-Life =     12.090 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00442 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  314.2
      Log Koc:  2.497 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  6.427E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.417  years  
  Kb Half-Life at pH 7:      34.171  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.180 (BCF = 151.5)
       log Kow used: 3.74 (estimated)

 Volatilization from Water:
    Henry LC:  8.28E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.205E+005  hours   (5021 days)
    Half-Life from Model Lake : 1.315E+006  hours   (5.478E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              19.74  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    19.50  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0534          0.844        1000       
   Water     21.2            360          1000       
   Soil      77.2            720          1000       
   Sediment  1.55            3.24e+003    0          
     Persistence Time: 552 hr

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