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CAS Number: 91-66-7
SMILES : N(c(cccc1)c1)(CC)CC
CHEM : Benzenamine, N,N-diethyl-
MOL FOR: C10 H15 N1
MOL WT : 149.24
------------------------------ 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) = 3.15
Log Kow (Exper. database match) = 3.31
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 210.09 (Adapted Stein & Brown method)
Melting Pt (deg C): -1.40 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.158 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 21.1 (Mean VP of Antoine & Grain methods)
MP (exp database): -38.8 deg C
BP (exp database): 216.3 deg C
VP (exp database): 1.36E-01 mm Hg (1.81E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 113.9
log Kow used: 3.31 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 140 mg/L (25 deg C)
Exper. Ref: KOURIS,CS & NORTHCOTT,J (1963)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 578.27 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.51E-004 atm-m3/mole (1.53E+001 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.92E-04 atm-m3/mole (1.95E+001 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.724E-004 atm-m3/mole (2.760E+001 Pa-m3/mole)
VP: 0.158 mm Hg (source: MPBPVP)
WS: 114 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.31 (exp database)
Log Kaw used: -2.105 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.415
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5993
Biowin2 (Non-Linear Model) : 0.6144
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6366 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3493 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3241
Biowin6 (MITI Non-Linear Model): 0.2453
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6049
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): 18.1 Pa (0.136 mm Hg)
Log Koa (Koawin est ): 5.415
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.65E-007
Octanol/air (Koa) model: 6.38E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.98E-006
Mackay model : 1.32E-005
Octanol/air (Koa) model: 5.11E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 164.2617 E-12 cm3/molecule-sec
Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.781 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.61E-006 (Junge-Pankow, Mackay avg)
5.11E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 286.2 L/kg (MCI method)
Log Koc: 2.457 (MCI method)
Koc : 490.7 L/kg (Kow method)
Log Koc: 2.691 (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 = 1.851 (BCF = 70.95 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8458 days (HL = 0.1426 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.670 (BCF = 46.76)
Log BAF Arnot-Gobas method (upper trophic) = 1.670 (BAF = 46.76)
log Kow used: 3.31 (expkow database)
Volatilization from Water:
Henry LC: 0.000192 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 4.972 hours
Half-Life from Model Lake : 156.7 hours (6.528 days)
Removal In Wastewater Treatment:
Total removal: 16.81 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 8.83 percent
Total to Air: 7.83 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.159 1.56 1000
Water 16.5 900 1000
Soil 83 1.8e+003 1000
Sediment 0.268 8.1e+003 0
Persistence Time: 749 hr