Found 40 results

Search term: MF = 'C_{4}H_{7}F_{2}N'
ChemSpider 2D Image | 1-(2,2-Difluorocyclopropyl)methanamine | C4H7F2N

1-(2,2-Difluorocyclopropyl)methanamine

  • Molecular FormulaC4H7F2N
  • Average mass107.102 Da
  • Monoisotopic mass107.054657 Da
  • ChemSpider ID19880240

More details:

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

1-(2,2-Difluorcyclopropyl)methanamin [German] [ACD/IUPAC Name]
1-(2,2-Difluorocyclopropyl)methanamine [ACD/IUPAC Name]
1-(2,2-Difluorocyclopropyl)méthanamine [French] [ACD/IUPAC Name]
Cyclopropanemethanamine, 2,2-difluoro- [ACD/Index Name]
(2,2-Difluorocyclopropyl) methanamine
(2,2-difluorocyclopropyl)methanamine
(2,2-Difluorocyclopropyl)methanamine|2,2-Difluorocyclopropanemethanamine
(2,2-Difluorocyclopropyl)methylamine
2,2-Difluorocyclopropanemethanamine
847926-81-2 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 88.2±10.0 °C at 760 mmHg
    Vapour Pressure: 61.9±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 32.8±3.0 kJ/mol
    Flash Point: -6.6±6.0 °C
    Index of Refraction: 1.405
    Molar Refractivity: 22.4±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.74
    ACD/LogD (pH 5.5): -3.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 26 Å2
    Polarizability: 8.9±0.5 10-24cm3
    Surface Tension: 24.5±5.0 dyne/cm
    Molar Volume: 91.2±5.0 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) =  0.42

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  76.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -42.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  101  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.921e+005
       log Kow used: 0.42 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30242 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.09E-005  atm-m3/mole
   Group Method:   1.69E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.892E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.42  (KowWin est)
  Log Kaw used:  -2.898  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.318
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6665
   Biowin2 (Non-Linear Model)     :   0.7057
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7748  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5831  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6108
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6246
 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):  1.3E+004 Pa (97.8 mm Hg)
  Log Koa (Koawin est  ): 3.318
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.3E-010 
       Octanol/air (Koa) model:  5.11E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.31E-009 
       Mackay model           :  1.84E-008 
       Octanol/air (Koa) model:  4.08E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.6855 E-12 cm3/molecule-sec
      Half-Life =     1.001 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.012 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.34E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  152.3
      Log Koc:  2.183 

 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: 0.42 (estimated)

 Volatilization from Water:
    Henry LC:  1.69E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      36.91  hours   (1.538 days)
    Half-Life from Model Lake :      489.4  hours   (20.39 days)

 Removal In Wastewater Treatment:
    Total removal:               2.77  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.29            24           1000       
   Water     46.6            360          1000       
   Soil      50              720          1000       
   Sediment  0.0874          3.24e+003    0          
     Persistence Time: 320 hr

    Click to predict properties on the Chemicalize site


    Advertisement