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CAS Num: 002449-49-2
SMILES : CC(c1ccccc1)N(C)C
CHEM :
MOL FOR: C10 H15 N1
MOL WT : 149.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 198.20 (Adapted Stein & Brown method)
Melting Pt (deg C): -12.37 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.395 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 52.6 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.105e+004
log Kow used: 2.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4740.3 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.91E-006 atm-m3/mole (3.97E-001 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: 7.020E-006 atm-m3/mole (7.113E-001 Pa-m3/mole)
VP: 0.395 mm Hg (source: MPBPVP)
WS: 1.11E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.16 (KowWin est)
Log Kaw used: -3.796 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.956
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) : 0.2159
Biowin6 (MITI Non-Linear Model): 0.1543
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7034
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): 48.1 Pa (0.361 mm Hg)
Log Koa (Koawin est ): 5.956
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.23E-008
Octanol/air (Koa) model: 2.22E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.25E-006
Mackay model : 4.99E-006
Octanol/air (Koa) model: 1.77E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 91.3648 E-12 cm3/molecule-sec
Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.405 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.62E-006 (Junge-Pankow, Mackay avg)
1.77E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 479 L/kg (MCI method)
Log Koc: 2.680 (MCI method)
Koc : 113.4 L/kg (Kow method)
Log Koc: 2.054 (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 v3.00):
Log BCF from regression-based method = 1.095 (BCF = 12.44 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4643 days (HL = 0.03434 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.812 (BCF = 6.486)
Log BAF Arnot-Gobas method (upper trophic) = 0.812 (BAF = 6.486)
log Kow used: 2.16 (estimated)
Volatilization from Water:
Henry LC: 3.91E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 184.2 hours (7.674 days)
Half-Life from Model Lake : 2112 hours (87.98 days)
Removal In Wastewater Treatment:
Total removal: 2.64 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.32 percent
Total to Air: 0.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.132 2.81 1000
Water 19.2 900 1000
Soil 80.2 1.8e+003 1000
Sediment 0.508 8.1e+003 0
Persistence Time: 1.01e+003 hr