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: 3248-91-7
SMILES : CC1=CC(C=CC1=N(H)(H))=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3
CHEM : Benzenamine, 4-[(4-amino-3-methylphenyl)(4-imino-3-methyl-2,5-cyclohe
xadien-1-ylidene)methyl]-2-methyl-, monohydrochlor
MOL FOR: C22 H24 N3
MOL WT : 330.46
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 1.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 644.52 (Adapted Stein & Brown method)
Melting Pt (deg C): 280.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.58E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 1.01E-012 (Modified Grain method)
Subcooled liquid VP: 5E-012 mm Hg (25 deg C, Mod-Grain method)
: 6.66E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 395.5
log Kow used: 1.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.043609 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Anilines (Aromatic Amines)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.80E-020 atm-m3/mole (8.92E-015 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: 8.334E-018 atm-m3/mole (8.444E-013 Pa-m3/mole)
VP: 7.58E-015 mm Hg (source: MPBPVP)
WS: 396 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.54 (KowWin est)
Log Kaw used: -17.444 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 18.984
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2321
Biowin2 (Non-Linear Model) : 0.0128
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0493 (months )
Biowin4 (Primary Survey Model) : 3.0171 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.4444
Biowin6 (MITI Non-Linear Model): 0.0004
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.7735
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): 6.67E-010 Pa (5E-012 mm Hg)
Log Koa (Koawin est ): 18.984
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.5E+003
Octanol/air (Koa) model: 2.37E+006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 454.2605 E-12 cm3/molecule-sec
Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 16.953 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 758.335022 E-17 cm3/molecule-sec
Half-Life = 0.002 Days (at 7E11 mol/cm3)
Half-Life = 2.176 Min
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.483E+005 L/kg (MCI method)
Log Koc: 5.739 (MCI method)
Koc : 54.16 L/kg (Kow method)
Log Koc: 1.734 (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 = 0.681 (BCF = 4.796 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0239 days (HL = 0.09465 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.557 (BCF = 3.609)
Log BAF Arnot-Gobas method (upper trophic) = 0.557 (BAF = 3.609)
log Kow used: 1.54 (estimated)
Volatilization from Water:
Henry LC: 8.8E-020 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.209E+016 hours (5.039E+014 days)
Half-Life from Model Lake : 1.319E+017 hours (5.498E+015 days)
Removal In Wastewater Treatment:
Total removal: 1.99 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.89 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 7.82e-008 0.0341 1000
Water 2.06 1.44e+003 1000
Soil 48.1 2.88e+003 1000
Sediment 49.8 1.3e+004 0
Persistence Time: 5.46e+003 hr