ChemSpider 2D Image | 1,1-Dimethoxyethene | C4H8O2

1,1-Dimethoxyethene

  • Molecular FormulaC4H8O2
  • Average mass88.105 Da
  • Monoisotopic mass88.052429 Da
  • ChemSpider ID120469

More details:

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

1,1-Dimethoxyethen [German] [ACD/IUPAC Name]
1,1-Dimethoxyethene [ACD/IUPAC Name]
1,1-Diméthoxyéthène [French] [ACD/IUPAC Name]
1,1-dimethoxyethylene
922-69-0 [RN]
Ethene, 1,1-dimethoxy- [ACD/Index Name]
6-Nitronaphthalen-2-amine
884495-32-3 [RN]
'922-69-0 [EINECS]
Ketenacetal
More...

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

41585_FLUKA [DBID]
CCRIS 4693 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 46.9±13.0 °C at 760 mmHg
Vapour Pressure: 342.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 27.9±3.0 kJ/mol
Flash Point: -28.9±19.4 °C
Index of Refraction: 1.379
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.37
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.37
Polar Surface Area: 18 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 19.9±3.0 dyne/cm
Molar Volume: 102.2±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) =  0.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  64.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  175  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.225e+004
       log Kow used: 0.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2496e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.67E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.467E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.22  (KowWin est)
  Log Kaw used:  -0.962  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.182
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0109
   Biowin2 (Non-Linear Model)     :   0.0061
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9871  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7011  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4662
   Biowin6 (MITI Non-Linear Model):   0.4660
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0154
 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):  2.29E+004 Pa (172 mm Hg)
  Log Koa (Koawin est  ): 1.182
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.31E-010 
       Octanol/air (Koa) model:  3.73E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.72E-009 
       Mackay model           :  1.05E-008 
       Octanol/air (Koa) model:  2.99E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  88.5252 E-12 cm3/molecule-sec
      Half-Life =     0.121 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.450 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     4.375000 E-17 cm3/molecule-sec
      Half-Life =     0.262 Days (at 7E11 mol/cm3)
      Half-Life =      6.287 Hrs
   Fraction sorbed to airborne particulates (phi): 7.6E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.22 (estimated)

 Volatilization from Water:
    Henry LC:  0.00267 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.164  hours
    Half-Life from Model Lake :       91.4  hours   (3.808 days)

 Removal In Wastewater Treatment:
    Total removal:              52.27  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.98  percent
    Total to Air:               51.23  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.87            1.98         1000       
   Water     84.3            360          1000       
   Soil      12.6            720          1000       
   Sediment  0.157           3.24e+003    0          
     Persistence Time: 77.5 hr

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