This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 88-68-6
SMILES : O=C(N)c(c(N)ccc1)c1
CHEM : Benzamide, 2-amino-
MOL FOR: C7 H8 N2 O1
MOL WT : 136.15
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.44
Log Kow (Exper. database match) = 0.35
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 340.39 (Adapted Stein & Brown method)
Melting Pt (deg C): 118.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000285 (Modified Grain method)
VP (Pa, 25 deg C) : 0.038 (Modified Grain method)
MP (exp database): 110 dec deg C
BP (exp database): 300 deg C
Subcooled liquid VP: 0.00195 mm Hg (25 deg C, Mod-Grain method)
: 0.26 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2138
log Kow used: 0.35 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.5454e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Anilines (Hindered)
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.83E-013 atm-m3/mole (7.93E-008 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.388E-008 atm-m3/mole (2.420E-003 Pa-m3/mole)
VP: 0.000285 mm Hg (source: MPBPVP)
WS: 2.14E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.35 (exp database)
Log Kaw used: -10.495 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.845
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6591
Biowin2 (Non-Linear Model) : 0.8653
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7091 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7483 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3089
Biowin6 (MITI Non-Linear Model): 0.2201
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3913
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): 0.26 Pa (0.00195 mm Hg)
Log Koa (Koawin est ): 10.845
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.15E-005
Octanol/air (Koa) model: 0.0172
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000417
Mackay model : 0.000922
Octanol/air (Koa) model: 0.579
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 100.1296 E-12 cm3/molecule-sec
Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.282 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000669 (Junge-Pankow, Mackay avg)
0.579 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 7.376 L/kg (Kow method)
Log Koc: 0.868 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.0250 days (HL = 0.00944 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.019 (BCF = 0.9576)
Log BAF Arnot-Gobas method (upper trophic) = -0.019 (BAF = 0.9576)
log Kow used: 0.35 (expkow database)
Volatilization from Water:
Henry LC: 7.83E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.725E+008 hours (3.635E+007 days)
Half-Life from Model Lake : 9.518E+009 hours (3.966E+008 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 9.29e-006 2.56 1000
Water 35 900 1000
Soil 64.9 1.8e+003 1000
Sediment 0.0835 8.1e+003 0
Persistence Time: 1.15e+003 hr