ChemSpider 2D Image | dipropylene glycol diacrylate | C12H18O5

dipropylene glycol diacrylate

  • Molecular FormulaC12H18O5
  • Average mass242.268 Da
  • Monoisotopic mass242.115417 Da
  • ChemSpider ID2298885

More details:

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

dipropylene glycol diacrylate
1,1'-OXYDIPROPANOL DIACRYLATE
260-754-3 [EINECS]
2-Propenoic acid, oxybis-1-methyl-2,1-ethanediyl ester [ACD/Index Name]
57472-68-1 [RN]
85996-31-2 [RN]
Bisacrylate d'oxydi-1,2-propanediyle [French] [ACD/IUPAC Name]
Oxybis(methyl-2,1-ethanediyl) diacrylate
Oxydi-1,2-propandiyl-bisacrylat [German] [ACD/IUPAC Name]
Oxydi-1,2-propanediyl bisacrylate [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 312.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 133.2±21.0 °C
Index of Refraction: 1.452
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.08
ACD/KOC (pH 5.5): 181.97
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.08
ACD/KOC (pH 7.4): 181.97
Polar Surface Area: 62 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 230.9±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) =  1.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  256.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0194  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  968.5
       log Kow used: 1.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3972.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.22E-009  atm-m3/mole
   Group Method:   1.09E-010  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.385E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.68  (KowWin est)
  Log Kaw used:  -6.763  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.443
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6332
   Biowin2 (Non-Linear Model)     :   0.9866
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9355  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9464  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7158
   Biowin6 (MITI Non-Linear Model):   0.7660
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0425
 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):  2.56 Pa (0.0192 mm Hg)
  Log Koa (Koawin est  ): 8.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-006 
       Octanol/air (Koa) model:  6.81E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.23E-005 
       Mackay model           :  9.37E-005 
       Octanol/air (Koa) model:  0.00542 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.3960 E-12 cm3/molecule-sec
      Half-Life =     0.265 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.177 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 6.8E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.668E-002  L/mol-sec
  Kb Half-Life at pH 8:     218.702  days   
  Kb Half-Life at pH 7:       5.988  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.590 (BCF = 3.888)
       log Kow used: 1.67 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 8.361E+006  hours   (3.484E+005 days)
    Half-Life from Model Lake : 9.121E+007  hours   (3.8E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               2.04  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.94  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       0.0022          5.88         1000       
   Water     26.8            360          1000       
   Soil      73.1            720          1000       
   Sediment  0.071           3.24e+003    0          
     Persistence Time: 671 hr

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