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CAS Number: 83883-10-7

SMILES : CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O

CHEM :

MOL FOR: C16 H25 N1 O2

MOL WT : 263.38

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 3.25

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

Boiling Pt (deg C): 421.23 (Adapted Stein & Brown method)

Melting Pt (deg C): 156.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.98E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 2.64E-007 (Modified Grain method)

Subcooled liquid VP: 4.38E-008 mm Hg (25 deg C, Mod-Grain method)

: 5.84E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 33.25

log Kow used: 3.25 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1244.8 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Acrylamides

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

Bond Method : 7.56E-012 atm-m3/mole (7.66E-007 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: 2.064E-011 atm-m3/mole (2.091E-006 Pa-m3/mole)

VP: 1.98E-009 mm Hg (source: MPBPVP)

WS: 33.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.25 (KowWin est)

Log Kaw used: -9.510 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.760

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7568

Biowin2 (Non-Linear Model) : 0.8890

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6491 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7888 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3218

Biowin6 (MITI Non-Linear Model): 0.0981

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1327

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): 5.84E-006 Pa (4.38E-008 mm Hg)

Log Koa (Koawin est ): 12.760

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

Mackay model : 0.514

Octanol/air (Koa) model: 1.41

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.949

Mackay model : 0.976

Octanol/air (Koa) model: 0.991

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 212.0390 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 221.1590 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.605 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.580 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 6.402500 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 7.539999 E-17 cm3/molecule-sec [Trans-]

Half-Life = 4.296 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 3.648 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.963 (Junge-Pankow, Mackay avg)

0.991 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 512.2 L/kg (MCI method)

Log Koc: 2.709 (MCI method)

Koc : 193.1 L/kg (Kow method)

Log Koc: 2.286 (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 = 1.813 (BCF = 64.98 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4738 days (HL = 0.3359 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.904 (BCF = 80.19)

Log BAF Arnot-Gobas method (upper trophic) = 1.904 (BAF = 80.19)

log Kow used: 3.25 (estimated)

Volatilization from Water:

Henry LC: 7.56E-012 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.257E+008 hours (5.237E+006 days)

Half-Life from Model Lake : 1.371E+009 hours (5.713E+007 days)

Removal In Wastewater Treatment:

Total removal: 8.47 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 8.33 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00132 0.944 1000

Water 12.7 900 1000

Soil 86.9 1.8e+003 1000

Sediment 0.36 8.1e+003 0

Persistence Time: 1.76e+003 hr

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