ChemSpider 2D Image | Oxamide | C2H4N2O2

Oxamide

  • Molecular FormulaC2H4N2O2
  • Average mass88.065 Da
  • Monoisotopic mass88.027275 Da
  • ChemSpider ID9709

More details:



Featured data source



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

207-442-5 [EINECS]
2-Amino-2-oxoethanimidic acid
471-46-5 [RN]
Ethanediamide [ACD/Index Name]
Ethanedioic Acid Diamide
ethanimidic acid, 2-amino-2-oxo-
Oxalamid [German] [ACD/IUPAC Name]
Oxalamide [ACD/IUPAC Name]
Oxalamide [French] [ACD/IUPAC Name]
Oxamide [Wiki]
More...

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

75770_FLUKA [DBID]
AI3-03761 [DBID]
AIDS018443 [DBID]
AIDS-018443 [DBID]
NCI60_002253 [DBID]
NSC 2770 [DBID]
NSC2770 [DBID]
O9328_ALDRICH [DBID]
ZINC05177750 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 262.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.7±22.6 °C
Index of Refraction: 1.496
Molar Refractivity: 18.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.04
Polar Surface Area: 86 Å2
Polarizability: 7.3±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 63.1±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) =  -2.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  323.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  122.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.06E-007  (Modified Grain method)
    MP  (exp database):  350 dec deg C
    VP  (exp database):  6.35E-08 mm Hg at 25 deg C
    Subcooled liquid VP: 0.000104 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.588e+005
       log Kow used: -2.45 (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:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.59E-011  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.99E-11  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.619E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.45  (KowWin est)
  Log Kaw used:  -9.090  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.640
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1259
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8961  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1315  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7034
   Biowin6 (MITI Non-Linear Model):   0.8526
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2997
 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):  0.0139 Pa (0.000104 mm Hg)
  Log Koa (Koawin est  ): 6.640
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000216 
       Octanol/air (Koa) model:  1.07E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00775 
       Mackay model           :  0.017 
       Octanol/air (Koa) model:  8.57E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0000 E-12 cm3/molecule-sec
      Half-Life =     2.674 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.088 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0124 (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: -2.45 (estimated)

 Volatilization from Water:
    Henry LC:  1.99E-011 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.761E+007  hours   (1.15E+006 days)
    Half-Life from Model Lake : 3.012E+008  hours   (1.255E+007 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       0.000904        64.2         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form