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CAS Number: 67643-70-3

SMILES : CC(=CCCC(C)(C=C)OC(=O)N(C)C)C

CHEM :

MOL FOR: C13 H23 N1 O2

MOL WT : 225.33

------------------------------ 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) = 4.38

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

Boiling Pt (deg C): 263.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0118 (Modified Grain method)

VP (Pa, 25 deg C) : 1.57 (Modified Grain method)

Subcooled liquid VP: 0.0131 mm Hg (25 deg C, Mod-Grain method)

: 1.74 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5.872

log Kow used: 4.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 45.191 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Carbamate Esters

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

Bond Method : 1.89E-006 atm-m3/mole (1.92E-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: 5.958E-004 atm-m3/mole (6.037E+001 Pa-m3/mole)

VP: 0.0118 mm Hg (source: MPBPVP)

WS: 5.87 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.38 (KowWin est)

Log Kaw used: -4.112 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.492

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5359

Biowin2 (Non-Linear Model) : 0.2881

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4424 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5628 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1916

Biowin6 (MITI Non-Linear Model): 0.1099

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1381

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): 1.75 Pa (0.0131 mm Hg)

Log Koa (Koawin est ): 8.492

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

Mackay model : 1.72E-006

Octanol/air (Koa) model: 7.62E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.2E-005

Mackay model : 0.000137

Octanol/air (Koa) model: 0.00606

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 120.9411 E-12 cm3/molecule-sec

Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.061 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.222 Min

Fraction sorbed to airborne particulates (phi):

9.97E-005 (Junge-Pankow, Mackay avg)

0.00606 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1052 L/kg (MCI method)

Log Koc: 3.022 (MCI method)

Koc : 1666 L/kg (Kow method)

Log Koc: 3.222 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.114E-011 L/mol-sec

Kb Half-Life at pH 8: 7.053E+008 years

Kb Half-Life at pH 7: 7.053E+009 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.556 (BCF = 359.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1748 days (HL = 0.6686 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.405 (BCF = 254)

Log BAF Arnot-Gobas method (upper trophic) = 2.405 (BAF = 254.2)

log Kow used: 4.38 (estimated)

Volatilization from Water:

Henry LC: 1.89E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 466.5 hours (19.44 days)

Half-Life from Model Lake : 5215 hours (217.3 days)

Removal In Wastewater Treatment:

Total removal: 49.63 percent

Total biodegradation: 0.47 percent

Total sludge adsorption: 49.11 percent

Total to Air: 0.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0228 0.49 1000

Water 18.3 900 1000

Soil 80.6 1.8e+003 1000

Sediment 1.07 8.1e+003 0

Persistence Time: 1.04e+003 hr

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