ChemSpider 2D Image | (~14~C)Formaldehyde | 14CH2O

(14C)Formaldehyde

  • Molecular Formula14CH2O
  • Average mass32.019 Da
  • Monoisotopic mass32.013805 Da
  • ChemSpider ID4953967
  • Non-standard isotope - Non-standard isotope


More details:






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

(14C)Formaldehyd [German] [ACD/IUPAC Name]
(14C)Formaldehyde [ACD/IUPAC Name]
(14C)Formaldéhyde [French] [ACD/IUPAC Name]
Formaldehyde-14C [ACD/Index Name]
[14C]formaldehyde
3046-49-9 [RN]
Formaldehyde-(14)C
FORMALDEHYDE, [14C]
formaldehyde, [14c]-
Formaldehyde-14C
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

313114_SIGMA [DBID]

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

    Density: 0.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.235
    Molar Refractivity: 6.5±0.3 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 2.6±0.5 10-24cm3
    Surface Tension: 12.6±3.0 dyne/cm
    Molar Volume: 43.8±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) =  0.35
        Log Kow (Exper. database match) =  0.35
           Exper. Ref:  Hansch,C et al. (1995)
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  9.50  (Adapted Stein & Brown method)
        Melting Pt (deg C):  -110.94  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  3.49E+003  (Mean VP of Antoine & Grain methods)
        MP  (exp database):  -92 deg C
        BP  (exp database):  -19.1 deg C
        VP  (exp database):  3.89E+03 mm Hg at 25 deg C
    
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  5.702e+004
           log Kow used: 0.35 (expkow database)
           no-melting pt equation used
         Water Sol (Exper. database match) =  4e+005 mg/L (20 deg C)
            Exper. Ref:  PICKRELL,JA ET AL. (1983)
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  3.9694e+005 mg/L
        Wat Sol (Exper. database match) =  400000.00
           Exper. Ref:  PICKRELL,JA ET AL. (1983)
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aldehydes
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   9.29E-005  atm-m3/mole
       Group Method:   6.14E-005  atm-m3/mole
       Exper Database: 3.37E-07  atm-m3/mole
     Henrys LC [VP/WSol estimate using EPI values]:  5.267E-004 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  0.35  (exp database)
      Log Kaw used:  -4.861  (exp database)
          Log Koa (KOAWIN v1.10 estimate):  5.211
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   1.0179
       Biowin2 (Non-Linear Model)     :   0.9999
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.1551  (weeks       )
       Biowin4 (Primary Survey Model) :   4.0011  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   1.0342
       Biowin6 (MITI Non-Linear Model):   0.9879
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.9587
     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):  5.19E+005 Pa (3.89E+003 mm Hg)
      Log Koa (Koawin est  ): 5.211
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  5.78E-012 
           Octanol/air (Koa) model:  3.99E-008 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  2.09E-010 
           Mackay model           :  4.63E-010 
           Octanol/air (Koa) model:  3.19E-006 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =   8.1300 E-12 cm3/molecule-sec
          Half-Life =     1.316 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =    15.787 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 3.36E-010 (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: 0.35 (expkow database)
    
     Volatilization from Water:
        Henry LC:  3.37E-007 atm-m3/mole  (Henry experimental database)
        Half-Life from Model River:      952.6  hours   (39.69 days)
        Half-Life from Model Lake : 1.044E+004  hours   (434.9 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       2.13            27.4         1000       
       Water     44.2            360          1000       
       Soil      53.5            720          1000       
       Sediment  0.0826          3.24e+003    0          
         Persistence Time: 390 hr
    
    
    
    
                        

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