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CAS Number: 1492-27-9

SMILES : CCCCCCCCCC(=O)OC(CC(=O)O)CN(H)(C)(C)C

CHEM :

MOL FOR: C17 H35 N1 O4

MOL WT : 317.47

------------------------------ 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) = 2.15

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

Boiling Pt (deg C): 550.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 236.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.52E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 1E-009 (Modified Grain method)

Subcooled liquid VP: 1.43E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.9E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 350.7

log Kow used: 2.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.107 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters-acid

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

Bond Method : 7.93E-020 atm-m3/mole (8.03E-015 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: 8.957E-015 atm-m3/mole (9.076E-010 Pa-m3/mole)

VP: 7.52E-012 mm Hg (source: MPBPVP)

WS: 351 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.15 (KowWin est)

Log Kaw used: -17.489 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 19.639

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9517

Biowin2 (Non-Linear Model) : 0.9937

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3008 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2733 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7284

Biowin6 (MITI Non-Linear Model): 0.8129

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2150

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.91E-007 Pa (1.43E-009 mm Hg)

Log Koa (Koawin est ): 19.639

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

Mackay model : 15.7

Octanol/air (Koa) model: 1.07E+007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.998

Mackay model : 0.999

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.7066 E-12 cm3/molecule-sec

Half-Life = 0.348 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.180 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 146.7 L/kg (MCI method)

Log Koc: 2.166 (MCI method)

Koc : 15.57 L/kg (Kow method)

Log Koc: 1.192 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.141E-002 L/mol-sec

Kb Half-Life at pH 8: 1.026 years

Kb Half-Life at pH 7: 10.259 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0052 days (HL = 0.0988 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.012 (BCF = 10.28)

Log BAF Arnot-Gobas method (upper trophic) = 1.012 (BAF = 10.28)

log Kow used: 2.15 (estimated)

Volatilization from Water:

Henry LC: 7.93E-020 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.316E+016 hours (5.481E+014 days)

Half-Life from Model Lake : 1.435E+017 hours (5.98E+015 days)

Removal In Wastewater Treatment:

Total removal: 2.41 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.31 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 2.32e-009 8.36 1000

Water 19.7 208 1000

Soil 80.1 416 1000

Sediment 0.126 1.87e+003 0

Persistence Time: 457 hr

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