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ChemSpider 2D Image | n-vinylcarbazole | C14H11N

n-vinylcarbazole

  • Molecular FormulaC14H11N
  • Average mass193.244 Da
  • Monoisotopic mass193.089142 Da
  • ChemSpider ID14414

More details:






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

1484-13-5 [RN]
216-055-0 [EINECS]
9H-Carbazole, 9-ethenyl- [ACD/Index Name]
9-Vinyl-9H-carbazol [German] [ACD/IUPAC Name]
9-Vinyl-9H-carbazole [ACD/IUPAC Name]
9-Vinyl-9H-carbazole [French] [ACD/IUPAC Name]
9-Vinylcarbazole
Carbazole, 9-vinyl-
D629AMY6F9
FE6350000
More...

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

277592_ALDRICH [DBID]
AI3-08510 [DBID]
AIDS166898 [DBID]
AIDS-166898 [DBID]
BRN 0132988 [DBID]
CCRIS 4693 [DBID]
DH 700 [DBID]
NSC 406868 [DBID]
NSC406868 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 328.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.5±20.4 °C
Index of Refraction: 1.610
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2127.86
ACD/KOC (pH 5.5): 8389.54
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2127.86
ACD/KOC (pH 7.4): 8389.54
Polar Surface Area: 5 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 182.3±7.0 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) =  4.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  322.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  100.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000256  (Modified Grain method)
    MP  (exp database):  64-66 deg C
    BP  (exp database):  154-155 @ 3 mm Hg deg C
    Subcooled liquid VP: 0.000593 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):  0.9642
       log Kow used: 4.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.499 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.31E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.751E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.19  (KowWin est)
  Log Kaw used:  -3.271  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.461
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4503
   Biowin2 (Non-Linear Model)     :   0.1236
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5173  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2809  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1367
   Biowin6 (MITI Non-Linear Model):   0.0549
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2228
 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):  0.0791 Pa (0.000593 mm Hg)
  Log Koa (Koawin est  ): 7.461
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.79E-005 
       Octanol/air (Koa) model:  7.1E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00137 
       Mackay model           :  0.00303 
       Octanol/air (Koa) model:  0.000567 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.5207 E-12 cm3/molecule-sec
      Half-Life =     0.319 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.829 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.0022 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4623
      Log Koc:  3.665 

 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 = 2.529 (BCF = 337.9)
       log Kow used: 4.19 (estimated)

 Volatilization from Water:
    Henry LC:  1.31E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      63.55  hours   (2.648 days)
    Half-Life from Model Lake :      809.8  hours   (33.74 days)

 Removal In Wastewater Treatment:
    Total removal:              39.75  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    38.92  percent
    Total to Air:                0.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.305           7.3          1000       
   Water     15.8            900          1000       
   Soil      78.1            1.8e+003     1000       
   Sediment  5.79            8.1e+003     0          
     Persistence Time: 1.1e+003 hr




                    

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