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CAS Number: 30538-92-2

SMILES : CC1(CC(CC(N1O)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)O)(C)C)C

CHEM :

MOL FOR: C28 H52 N2 O6

MOL WT : 512.74

------------------------------ 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) = 5.74

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

Boiling Pt (deg C): 635.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 275.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.19E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 5.59E-016 (Modified Grain method)

Subcooled liquid VP: 2.44E-015 mm Hg (25 deg C, Mod-Grain method)

: 3.26E-013 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.007393

log Kow used: 5.74 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.4911 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

Esters

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

Bond Method : 6.38E-018 atm-m3/mole (6.46E-013 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: 3.824E-016 atm-m3/mole (3.874E-011 Pa-m3/mole)

VP: 4.19E-018 mm Hg (source: MPBPVP)

WS: 0.00739 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.74 (KowWin est)

Log Kaw used: -15.584 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 21.324

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1161

Biowin2 (Non-Linear Model) : 0.0472

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.4980 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.9521 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6471

Biowin6 (MITI Non-Linear Model): 0.1810

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9869

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): 3.25E-013 Pa (2.44E-015 mm Hg)

Log Koa (Koawin est ): 21.324

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

Mackay model : 9.22E+006

Octanol/air (Koa) model: 5.18E+008

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 = 157.5731 E-12 cm3/molecule-sec

Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.815 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 : 5.445E+005 L/kg (MCI method)

Log Koc: 5.736 (MCI method)

Koc : 7616 L/kg (Kow method)

Log Koc: 3.882 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.103E-002 L/mol-sec

Kb Half-Life at pH 8: 1.991 years

Kb Half-Life at pH 7: 19.910 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.082 (BCF = 120.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2371 days (HL = 0.05793 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.362 (BCF = 23.02)

Log BAF Arnot-Gobas method (upper trophic) = 1.362 (BAF = 23.02)

log Kow used: 5.74 (estimated)

Volatilization from Water:

Henry LC: 6.38E-018 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.078E+014 hours (8.658E+012 days)

Half-Life from Model Lake : 2.267E+015 hours (9.445E+013 days)

Removal In Wastewater Treatment:

Total removal: 90.65 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 89.89 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 0.00286 1.63 1000

Water 1.17 4.32e+003 1000

Soil 54.1 8.64e+003 1000

Sediment 44.7 3.89e+004 0

Persistence Time: 1.16e+004 hr

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