ChemSpider 2D Image | glycidyl acetate | C5H8O3

glycidyl acetate

  • Molecular FormulaC5H8O3
  • Average mass116.115 Da
  • Monoisotopic mass116.047340 Da
  • ChemSpider ID99486

More details:

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

(oxiran-2-yl)methyl acetate
228-994-3 [EINECS]
2-Oxiranemethanol, 2-acetate
2-Oxiranemethanol, acetate [ACD/Index Name]
2-Oxiranylmethyl acetate [ACD/IUPAC Name]
2-Oxiranylmethyl-acetat [German] [ACD/IUPAC Name]
6387-89-9 [RN]
Acétate de 2-oxiranylméthyle [French] [ACD/IUPAC Name]
glycidyl acetate
Glycidyl Acetate, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

63G51G7FHE [DBID]
ghl.PDMitscherleg0.459 [DBID]
MBJ58JDO4H [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: 146.7±13.0 °C at 760 mmHg
Vapour Pressure: 4.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.4±3.0 kJ/mol
Flash Point: 69.6±4.7 °C
Index of Refraction: 1.435
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.02
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.02
Polar Surface Area: 39 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 101.8±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) =  -0.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  135.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.68  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.23e+005
       log Kow used: -0.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7978e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.80E-007  atm-m3/mole
   Group Method:   4.55E-008  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.540E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.09  (KowWin est)
  Log Kaw used:  -4.809  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.719
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5191
   Biowin2 (Non-Linear Model)     :   0.8818
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0741  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8994  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7939
   Biowin6 (MITI Non-Linear Model):   0.8878
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6165
 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):  944 Pa (7.08 mm Hg)
  Log Koa (Koawin est  ): 4.719
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.18E-009 
       Octanol/air (Koa) model:  1.29E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.15E-007 
       Mackay model           :  2.54E-007 
       Octanol/air (Koa) model:  1.03E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.3785 E-12 cm3/molecule-sec
      Half-Life =     4.497 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    53.963 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.85E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.16
      Log Koc:  0.064 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.632E-001  L/mol-sec
  Kb Half-Life at pH 8:      30.478  days   
  Kb Half-Life at pH 7:     304.777  days   

  Total Ka (acid-catalyzed) at 25 deg C :  2.214E-004  L/mol-sec
  Ka Half-Life at pH 7:     992.160  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.09 (estimated)

 Volatilization from Water:
    Henry LC:  3.8E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1661  hours   (69.22 days)
    Half-Life from Model Lake : 1.821E+004  hours   (758.9 days)

 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.65            108          1000       
   Water     43.1            360          1000       
   Soil      53.1            720          1000       
   Sediment  0.0795          3.24e+003    0          
     Persistence Time: 421 hr

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