ChemSpider 2D Image | AT0350000 | C8H10O4

AT0350000

  • Molecular FormulaC8H10O4
  • Average mass170.163 Da
  • Monoisotopic mass170.057907 Da
  • ChemSpider ID67824

More details:






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

1,2-Ethandiyl-bisacrylat [German] [ACD/IUPAC Name]
1,2-Ethanediyl bisacrylate [ACD/IUPAC Name]
1,2-ethanediyl diacrylate
218-886-4 [EINECS]
2274-11-5 [RN]
2-Propenoic acid, 1,2-ethanediyl ester [ACD/Index Name]
AT0350000
Bisacrylate de 1,2-éthanediyle [French] [ACD/IUPAC Name]
Ethane-1,2-diyl bisacrylate
ethane-1,2-diyl bisprop-2-enoate
More...

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

42Q902RIYE [DBID]
480797_ALDRICH [DBID]
BRN 1771527 [DBID]
CCRIS 627 [DBID]
NSC 24160 [DBID]
NSC24160 [DBID]
UNII:42Q902RIYE [DBID]
ZINC01608912 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 223.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 104.9±18.2 °C
Index of Refraction: 1.447
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 106.15
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 106.15
Polar Surface Area: 53 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 157.7±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) =  1.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  183.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.799  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  66-68 @ 2 mm Hg deg C
    VP  (exp database):  6.58E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6863
       log Kow used: 1.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7423.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.54E-007  atm-m3/mole
   Group Method:   9.30E-009  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.607E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.11  (KowWin est)
  Log Kaw used:  -5.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.311
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0149
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1035  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0601  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0293
   Biowin6 (MITI Non-Linear Model):   0.9717
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7906
 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):  8.77 Pa (0.0658 mm Hg)
  Log Koa (Koawin est  ): 6.311
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.42E-007 
       Octanol/air (Koa) model:  5.02E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.24E-005 
       Mackay model           :  2.74E-005 
       Octanol/air (Koa) model:  4.02E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.0862 E-12 cm3/molecule-sec
      Half-Life =     0.484 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.811 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): 1.99E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10.9
      Log Koc:  1.038 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.063E-001  L/mol-sec
  Kb Half-Life at pH 8:      75.466  days   
  Kb Half-Life at pH 7:       2.066  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.158 (BCF = 1.439)
       log Kow used: 1.11 (estimated)

 Volatilization from Water:
    Henry LC:  9.3E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 8.213E+004  hours   (3422 days)
    Half-Life from Model Lake :  8.96E+005  hours   (3.733E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  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       0.176           10.1         1000       
   Water     34.9            360          1000       
   Soil      64.8            720          1000       
   Sediment  0.0717          3.24e+003    0          
     Persistence Time: 561 hr




                    

Click to predict properties on the Chemicalize site






Advertisement