ChemSpider 2D Image | Glyoxylic acid | C2H2O3

Glyoxylic acid

  • Molecular FormulaC2H2O3
  • Average mass74.035 Da
  • Monoisotopic mass74.000397 Da
  • ChemSpider ID740

More details:

Featured data source
The Merck Index Online

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

206-058-5 [EINECS]
298-12-4 [RN]
741891 [Beilstein]
Acetic acid, 2-oxo- [ACD/Index Name]
Acide glyoxyl [French] [ACD/IUPAC Name]
Acide glyoxylique [French]
a-Ketoacetic acid
formylformic acid
Glyoxyl acid [ACD/IUPAC Name]
Glyoxylic acid [Wiki]
More...

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

JQ39C92HH6 [DBID]
MFCD00006958 [DBID]
260150_ALDRICH [DBID]
50711_FLUKA [DBID]
BR-48128 [DBID]
BRN 0741891 [DBID]
C00048 [DBID]
CCRIS 1455 [DBID]
CHEBI:16891 [DBID]
CHEBI:35910 [DBID]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 224.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.8±6.0 kJ/mol
Flash Point: 103.9±19.1 °C
Index of Refraction: 1.403
Molar Refractivity: 13.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 5.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 53.5±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) =  -1.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  178.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.188  (Modified Grain method)
    MP  (exp database):  98 deg C
    Subcooled liquid VP: 0.96 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.40 (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:
       Aldehydes

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.98E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.832E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.40  (KowWin est)
  Log Kaw used:  -6.914  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.514
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0696
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4225  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3231  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0844
   Biowin6 (MITI Non-Linear Model):   0.9862
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1454
 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):  128 Pa (0.96 mm Hg)
  Log Koa (Koawin est  ): 5.514
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.34E-008 
       Octanol/air (Koa) model:  8.02E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.47E-007 
       Mackay model           :  1.87E-006 
       Octanol/air (Koa) model:  6.41E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.1785 E-12 cm3/molecule-sec
      Half-Life =     0.812 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.739 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.36E-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]:
    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: -1.40 (estimated)

 Volatilization from Water:
    Henry LC:  2.98E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.691E+005  hours   (7044 days)
    Half-Life from Model Lake : 1.844E+006  hours   (7.685E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.102           19.5         1000       
   Water     34.7            208          1000       
   Soil      65.1            416          1000       
   Sediment  0.0601          1.87e+003    0          
     Persistence Time: 380 hr

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