ChemSpider 2D Image | glycidic acid | C3H4O3

glycidic acid

  • Molecular FormulaC3H4O3
  • Average mass88.062 Da
  • Monoisotopic mass88.016045 Da
  • ChemSpider ID84975

More details:

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

2,3-Epoxypropionic Acid
2-Oxirancarbonsäure [German] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid [ACD/Index Name] [ACD/IUPAC Name]
503-11-7 [RN]
503-66-2 [RN]
Acide 2-oxiranecarboxylique [French] [ACD/IUPAC Name]
glycidic acid
oxirane-2-carboxylic acid
[503-11-7] [RN]
1-BOC-3-(2-NITROPHENOXYMETHYL)AZETIDINE
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 246.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±6.0 kJ/mol
    Flash Point: 122.8±18.9 °C
    Index of Refraction: 1.511
    Molar Refractivity: 16.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.26
    ACD/LogD (pH 5.5): -2.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 6.7±0.5 10-24cm3
    Surface Tension: 65.7±3.0 dyne/cm
    Molar Volume: 56.5±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) =  0.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  176.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.16  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.394e+005
       log Kow used: 0.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.33E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.614E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.14  (KowWin est)
  Log Kaw used:  -6.587  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.727
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4310
   Biowin2 (Non-Linear Model)     :   0.2635
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3605  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0965  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6650
   Biowin6 (MITI Non-Linear Model):   0.7536
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6850
 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):  141 Pa (1.06 mm Hg)
  Log Koa (Koawin est  ): 6.727
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.12E-008 
       Octanol/air (Koa) model:  1.31E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.67E-007 
       Mackay model           :  1.7E-006 
       Octanol/air (Koa) model:  0.000105 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8785 E-12 cm3/molecule-sec
      Half-Life =    12.175 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.23E-006 (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]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.689E-006  L/mol-sec
  Ka Half-Life at pH 7: 1.300E+005  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.14 (estimated)

 Volatilization from Water:
    Henry LC:  6.33E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  8.68E+004  hours   (3617 days)
    Half-Life from Model Lake :  9.47E+005  hours   (3.946E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.218           292          1000       
   Water     34              208          1000       
   Soil      65.7            416          1000       
   Sediment  0.0596          1.87e+003    0          
     Persistence Time: 385 hr

    Click to predict properties on the Chemicalize site


    Advertisement