ChemSpider 2D Image | Phenylhydrazine | C6H8N2


  • Molecular FormulaC6H8N2
  • Average mass108.141 Da
  • Monoisotopic mass108.068748 Da
  • ChemSpider ID7235

More details:

Featured data source

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

100-63-0 [RN]
Fenilidrazina [Italian]
Fenylhydrazine [Dutch]
Hydrazine, phenyl- [ACD/Index Name]
Phenylhydrazin [German] [ACD/IUPAC Name]
Phenylhydrazine [ACD/IUPAC Name] [Wiki]
Phénylhydrazine [French] [ACD/IUPAC Name]

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

78670_FLUKA [DBID]
78672_FLUKA [DBID]
AI3-15399 [DBID]
BRN 0606080 [DBID]
C02304 [DBID]
HSDB 1117 [DBID]
MFCD00007573 [DBID]
NSC5710 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 115.4±22.3 °C
Index of Refraction: 1.644
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 74.49
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 119.02
Polar Surface Area: 38 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 96.1±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) =  0.79
    Log Kow (Exper. database match) =  1.25
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  201.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0385  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  19.6 deg C
    BP  (exp database):  243.5 deg C
    VP  (exp database):  2.60E-02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9445
       log Kow used: 1.25 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.27e+005 mg/L (25 deg C)
        Exper. Ref:  VALVANI,SC ET AL (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  127000.00
       Exper. Ref:  VALVANI,SC ET AL (1981)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.95E-009  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.42E-09  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.800E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.25  (exp database)
  Log Kaw used:  -6.743  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.993
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8242
   Biowin2 (Non-Linear Model)     :   0.9635
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9822  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6966  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0585
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5771
 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):  3.47 Pa (0.026 mm Hg)
  Log Koa (Koawin est  ): 7.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.65E-007 
       Octanol/air (Koa) model:  2.42E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.13E-005 
       Mackay model           :  6.92E-005 
       Octanol/air (Koa) model:  0.00193 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.6580 E-12 cm3/molecule-sec
      Half-Life =     0.251 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.009 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.02E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  86.53
      Log Koc:  1.937 

 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 = 0.263 (BCF = 1.83)
       log Kow used: 1.25 (expkow database)

 Volatilization from Water:
    Henry LC:  4.42E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.377E+005  hours   (5740 days)
    Half-Life from Model Lake : 1.503E+006  hours   (6.262E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  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       0.0848          6.02         1000       
   Water     33.2            360          1000       
   Soil      66.7            720          1000       
   Sediment  0.071           3.24e+003    0          
     Persistence Time: 582 hr


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