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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

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