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CAS Number: 103-83-3
SMILES : N(Cc(cccc1)c1)(C)C
CHEM : Benzenemethanamine, N,N-dimethyl-
MOL FOR: C9 H13 N1
MOL WT : 135.21
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 1.75
Log Kow (Exper. database match) = 1.98
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 190.19 (Adapted Stein & Brown method)
Melting Pt (deg C): -12.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.92 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 123 (Mean VP of Antoine & Grain methods)
MP (exp database): <-10 deg C
BP (exp database): 181 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.819e+004
log Kow used: 1.98 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.2e+004 mg/L (25 deg C)
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8825 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.95E-006 atm-m3/mole (2.99E-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: 8.998E-006 atm-m3/mole (9.117E-001 Pa-m3/mole)
VP: 0.92 mm Hg (source: MPBPVP)
WS: 1.82E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.98 (exp database)
Log Kaw used: -3.919 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.899
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6060
Biowin2 (Non-Linear Model) : 0.6604
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6676 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3696 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2113
Biowin6 (MITI Non-Linear Model): 0.1542
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6642
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): 111 Pa (0.836 mm Hg)
Log Koa (Koawin est ): 5.899
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.69E-008
Octanol/air (Koa) model: 1.95E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.72E-007
Mackay model : 2.15E-006
Octanol/air (Koa) model: 1.56E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 82.0609 E-12 cm3/molecule-sec
Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.564 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.56E-006 (Junge-Pankow, Mackay avg)
1.56E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 286.7 L/kg (MCI method)
Log Koc: 2.457 (MCI method)
Koc : 90.14 L/kg (Kow method)
Log Koc: 1.955 (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 = 0.973 (BCF = 9.406 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6035 days (HL = 0.02492 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.638 (BCF = 4.343)
Log BAF Arnot-Gobas method (upper trophic) = 0.638 (BAF = 4.343)
log Kow used: 1.98 (expkow database)
Volatilization from Water:
Henry LC: 2.95E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 232 hours (9.665 days)
Half-Life from Model Lake : 2628 hours (109.5 days)
Removal In Wastewater Treatment:
Total removal: 2.39 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.13 percent
Total to Air: 0.17 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.151 3.13 1000
Water 20.3 900 1000
Soil 79.2 1.8e+003 1000
Sediment 0.33 8.1e+003 0
Persistence Time: 986 hr