Found 1 result

Search term: BYCUWCJUPSUFBX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | PFPH | C6H3F5N2

PFPH

  • Molecular FormulaC6H3F5N2
  • Average mass198.093 Da
  • Monoisotopic mass198.021637 Da
  • ChemSpider ID12681

More details:

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

(2,3,4,5,6-pentafluorophenyl)hydrazine
(Pentafluorophenyl)hydrazine [ACD/IUPAC Name]
(Pentafluorophényl)hydrazine [French] [ACD/IUPAC Name]
(Pentafluorphenyl)hydrazin [German] [ACD/IUPAC Name]
(perfluorophenyl)hydrazine
1-(2,3,4,5,6-Pentafluorophenyl)hydrazine
2,3,4,5,6-Pentafluorophenylhydrazine
212-586-7 [EINECS]
747800 [Beilstein]
828-73-9 [RN]
More...

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

MFCD00007574 [DBID]
NSC 88334 [DBID]
156388_ALDRICH [DBID]
76752_FLUKA [DBID]
BRN 0747800 [DBID]
NCIOpen2_001367 [DBID]
NSC88334 [DBID]
ZINC02022416 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 117.6±40.0 °C at 760 mmHg
Vapour Pressure: 17.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.6±3.0 kJ/mol
Flash Point: 24.9±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.22
ACD/KOC (pH 5.5): 206.70
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.64
ACD/KOC (pH 7.4): 213.92
Polar Surface Area: 38 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 117.1±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) =  1.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  177.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.328  (Modified Grain method)
    MP  (exp database):  75 deg C
    Subcooled liquid VP: 0.978 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):  1309
       log Kow used: 1.80 (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:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.72E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.531E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.80  (KowWin est)
  Log Kaw used:  -6.153  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.953
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -3.3967
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.7267  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.6292  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1633
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  130 Pa (0.978 mm Hg)
  Log Koa (Koawin est  ): 7.953
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.3E-008 
       Octanol/air (Koa) model:  2.2E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.31E-007 
       Mackay model           :  1.84E-006 
       Octanol/air (Koa) model:  0.00176 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5739 E-12 cm3/molecule-sec
      Half-Life =     4.155 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    49.866 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.34E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1091
      Log Koc:  3.038 

 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 = 0.683 (BCF = 4.82)
       log Kow used: 1.80 (estimated)

 Volatilization from Water:
    Henry LC:  1.72E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.791E+004  hours   (1996 days)
    Half-Life from Model Lake : 5.228E+005  hours   (2.178E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.10  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.00  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       0.0909          99.7         1000       
   Water     29.5            4.32e+003    1000       
   Soil      70.3            8.64e+003    1000       
   Sediment  0.0965          3.89e+004    0          
     Persistence Time: 2.41e+003 hr

Click to predict properties on the Chemicalize site


Advertisement