ChemSpider 2D Image | OZ4000000 | C16H26O7

OZ4000000

  • Molecular FormulaC16H26O7
  • Average mass330.373 Da
  • Monoisotopic mass330.167847 Da
  • ChemSpider ID7692

More details:

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

((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate)
109-17-1 [RN]
14-methyl-13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl 2-methylprop-2-enoate
14-Methyl-13-oxo-3,6,9,12-tetraoxapentadec-14-en-1-yl methacrylate
203-653-1 [EINECS]
2-propenoic acid, 2-methyl-, 3,6,9-trioxaundecane-1,11-diyl ester
2-Propenoic acid, 2-methyl-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester [ACD/Index Name]
Bis(2-méthylacrylate) d'oxybis(2,1-éthanediyloxy-2,1-éthanediyle) [French] [ACD/IUPAC Name]
MFCD00014932
Oxybis(2,1-ethandiyloxy-2,1-ethandiyl)-bis(2-methylacrylat) [German] [ACD/IUPAC Name]
More...

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

1803537 [DBID]
CT038EQF54 [DBID]
86680_FLUKA [DBID]
BRN 1803537 [DBID]
CCRIS 3435 [DBID]
NSC 84253 [DBID]
NSC84253 [DBID]
SR 209 [DBID]
UNII:CT038EQF54 [DBID]
UNII-CT038EQF54 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 176.4±24.6 °C
Index of Refraction: 1.458
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.40
ACD/KOC (pH 5.5): 234.85
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.40
ACD/KOC (pH 7.4): 234.85
Polar Surface Area: 80 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 308.5±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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  351.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.131  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  220 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  532.8
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13118 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.42E-012  atm-m3/mole
   Group Method:   3.62E-015  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.069E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  -10.236  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.626
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1035
   Biowin2 (Non-Linear Model)     :   0.0216
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7235  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7998  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8420
   Biowin6 (MITI Non-Linear Model):   0.7591
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1627
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  16.3 Pa (0.122 mm Hg)
  Log Koa (Koawin est  ): 11.626
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.84E-007 
       Octanol/air (Koa) model:  0.104 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.66E-006 
       Mackay model           :  1.48E-005 
       Octanol/air (Koa) model:  0.892 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  81.9750 E-12 cm3/molecule-sec
      Half-Life =     0.130 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.566 Hrs
   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): 1.07E-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 :  1.400E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.569  years  
  Kb Half-Life at pH 7:      15.688  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.367 (BCF = 2.328)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  3.62E-015 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  2.94E+011  hours   (1.225E+010 days)
    Half-Life from Model Lake : 3.207E+012  hours   (1.336E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  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       4.29e-008       2.49         1000       
   Water     34.9            900          1000       
   Soil      65              1.8e+003     1000       
   Sediment  0.0835          8.1e+003     0          
     Persistence Time: 1.15e+003 hr

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