ChemSpider 2D Image | N-Methoxyformamide | C2H5NO2

N-Methoxyformamide

  • Molecular FormulaC2H5NO2
  • Average mass75.067 Da
  • Monoisotopic mass75.032028 Da
  • ChemSpider ID472620

More details:






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

Formamide, N-methoxy- [ACD/Index Name]
N-Methoxyformamid [German] [ACD/IUPAC Name]
N-Methoxyformamide [ACD/IUPAC Name]
N-Méthoxyformamide [French] [ACD/IUPAC Name]
Methoxyformamide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 57.8±23.0 °C at 760 mmHg
Vapour Pressure: 214.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.1±3.0 kJ/mol
Flash Point: -11.2±22.6 °C
Index of Refraction: 1.372
Molar Refractivity: 16.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.36
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.36
Polar Surface Area: 38 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 74.0±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) =  -0.91

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  194.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.48  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.977e+005
       log Kow used: -0.91 (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 :   9.82E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.944E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.91  (KowWin est)
  Log Kaw used:  -6.396  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.486
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7118
   Biowin2 (Non-Linear Model)     :   0.8747
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0333  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7394  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4892
   Biowin6 (MITI Non-Linear Model):   0.5934
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  58.4 Pa (0.438 mm Hg)
  Log Koa (Koawin est  ): 5.486
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.14E-008 
       Octanol/air (Koa) model:  7.52E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.86E-006 
       Mackay model           :  4.11E-006 
       Octanol/air (Koa) model:  6.01E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.5245 E-12 cm3/molecule-sec
      Half-Life =     1.936 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.233 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.98E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.096
      Log Koc:  0.707 

 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: -0.91 (estimated)

 Volatilization from Water:
    Henry LC:  9.82E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.166E+004  hours   (2152 days)
    Half-Life from Model Lake : 5.636E+005  hours   (2.348E+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       0.22            46.5         1000       
   Water     39.4            360          1000       
   Soil      60.3            720          1000       
   Sediment  0.0721          3.24e+003    0          
     Persistence Time: 559 hr




                    

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