(N-15N)Azidobenzene C6H5N215N structure

C6H5N215N structure
Molecular Formula C6H5N215N
Average mass 120.117 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = -4.35

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 400.63 (Adapted Stein & Brown method)
 Melting Pt (deg C): 163.40 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 3.03E-007 (Modified Grain method)
 Subcooled liquid VP: 8.02E-006 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): 1e+006
 log Kow used: -4.35 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 699.04 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.94E-011 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 4.789E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -4.35 (KowWin est)
 Log Kaw used: -9.101 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.751
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8184
 Biowin2 (Non-Linear Model) : 0.9570
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9557 (weeks )
 Biowin4 (Primary Survey Model) : 3.6793 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3866
 Biowin6 (MITI Non-Linear Model): 0.4783
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.1394
 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): 0.00107 Pa (8.02E-006 mm Hg)
 Log Koa (Koawin est ): 4.751
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.00281 
 Octanol/air (Koa) model: 1.38E-008 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.092 
 Mackay model : 0.183 
 Octanol/air (Koa) model: 1.11E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.7727 E-12 cm3/molecule-sec
 Half-Life = 13.843 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.138 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 8.407
 Log Koc: 0.925 

 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: -4.35 (estimated)

 Volatilization from Water:
 Henry LC: 1.94E-011 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 3.308E+007 hours (1.378E+006 days)
 Half-Life from Model Lake : 3.608E+008 hours (1.504E+007 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 0.000515 332 1000 
 Water 39 360 1000 
 Soil 60.9 720 1000 
 Sediment 0.0713 3.24e+003 0 
 Persistence Time: 579 hr




 

Click to predict properties on the Chemicalize site

Tagged In :

Get help with your homework


image
Haven't found the Essay You Want? Get your custom essay sample For Only $13.90/page

Sarah from studyhippoHi there, would you like to get such a paper? How about receiving a customized one?

Check it out