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CAS Number: 94349-35-6



MOL FOR: C26 H53 CL1 N2 O2

MOL WT : 461.18

------------------------------ 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) = 3.85

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

Boiling Pt (deg C): 687.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 299.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.16E-016 (Modified Grain method)

VP (Pa, 25 deg C) : 4.21E-014 (Modified Grain method)

Subcooled liquid VP: 3.7E-013 mm Hg (25 deg C, Mod-Grain method)

: 4.94E-011 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.6582

log Kow used: 3.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00055139 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, mono


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

Bond Method : 4.95E-019 atm-m3/mole (5.01E-014 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: 2.913E-016 atm-m3/mole (2.952E-011 Pa-m3/mole)

VP: 3.16E-016 mm Hg (source: MPBPVP)

WS: 0.658 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.85 (KowWin est)

Log Kaw used: -16.694 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 20.544

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3908

Biowin2 (Non-Linear Model) : 0.0137

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1171 (months )

Biowin4 (Primary Survey Model) : 3.3781 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3316

Biowin6 (MITI Non-Linear Model): 0.1258

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5236

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): 4.93E-011 Pa (3.7E-013 mm Hg)

Log Koa (Koawin est ): 20.544

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

Mackay model : 6.08E+004

Octanol/air (Koa) model: 8.59E+007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 61.0384 E-12 cm3/molecule-sec

Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.103 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.892E+005 L/kg (MCI method)

Log Koc: 5.277 (MCI method)

Koc : 710.1 L/kg (Kow method)

Log Koc: 2.851 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 7.206E-002 L/mol-sec

Ka Half-Life at pH 7: 3.048 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8228 days (HL = 0.1504 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.772 (BCF = 59.21)

Log BAF Arnot-Gobas method (upper trophic) = 1.772 (BAF = 59.21)

log Kow used: 3.85 (estimated)

Volatilization from Water:

Henry LC: 4.95E-019 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.54E+015 hours (1.058E+014 days)

Half-Life from Model Lake : 2.771E+016 hours (1.155E+015 days)

Removal In Wastewater Treatment:

Total removal: 23.72 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 23.45 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 7.92e-006 4.2 1000

Water 3.38 1.44e+003 1000

Soil 56.8 2.88e+003 1000

Sediment 39.8 1.3e+004 0

Persistence Time: 4.63e+003 hr

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