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CAS Num: 035448-31-8

SMILES : N(=CCC(C)C)CCC(C)C

CHEM : 1-Butanamine, 3-methyl-N-(3-methylbutylidene)-

MOL FOR: C10 H21 N1

MOL WT : 155.29

------------------------------ 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) = 3.77

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 169.76 (Adapted Stein & Brown method)

Melting Pt (deg C): -58.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.58 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 211 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 42.96

log Kow used: 3.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.0917 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Schiff Bases

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 4.68E-002 atm-m3/mole (4.74E+003 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: 7.515E-003 atm-m3/mole (7.614E+002 Pa-m3/mole)

VP: 1.58 mm Hg (source: MPBPVP)

WS: 43 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.77 (KowWin est)

Log Kaw used: 0.282 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.488

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6736

Biowin2 (Non-Linear Model) : 0.6908

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8560 (weeks )

Biowin4 (Primary Survey Model) : 3.6237 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2480

Biowin6 (MITI Non-Linear Model): 0.2910

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0982

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): 192 Pa (1.44 mm Hg)

Log Koa (Koawin est ): 3.488

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.56E-008

Octanol/air (Koa) model: 7.55E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.64E-007

Mackay model : 1.25E-006

Octanol/air (Koa) model: 6.04E-008

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.8026 E-12 cm3/molecule-sec

Half-Life = 0.906 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.875 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.07E-007 (Junge-Pankow, Mackay avg)

6.04E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1870 L/kg (MCI method)

Log Koc: 3.272 (MCI method)

Koc : 1869 L/kg (Kow method)

Log Koc: 3.272 (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 = 2.158 (BCF = 143.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2959 days (HL = 0.506 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.203 (BCF = 159.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.203 (BAF = 159.5)

log Kow used: 3.77 (estimated)

Volatilization from Water:

Henry LC: 0.0468 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.287 hours

Half-Life from Model Lake : 118.5 hours (4.939 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.25 percent

Total biodegradation: 0.06 percent

Total sludge adsorption: 12.04 percent

Total to Air: 83.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 12.2 21.7 1000

Water 41.6 360 1000

Soil 43.7 720 1000

Sediment 2.56 3.24e+003 0

Persistence Time: 148 hr

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