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CAS Number: 1935-18-8

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

CHEM :

MOL FOR: C23 H47 N1 O4

MOL WT : 401.64

------------------------------ 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) = 5.10

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

Boiling Pt (deg C): 619.99 (Adapted Stein & Brown method)

Melting Pt (deg C): 268.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.66E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 6.21E-012 (Modified Grain method)

Subcooled liquid VP: 2.21E-011 mm Hg (25 deg C, Mod-Grain method)

: 2.95E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.3295

log Kow used: 5.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0015983 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters-acid

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

Bond Method : 4.34E-019 atm-m3/mole (4.40E-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: 7.474E-014 atm-m3/mole (7.573E-009 Pa-m3/mole)

VP: 4.66E-014 mm Hg (source: MPBPVP)

WS: 0.33 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.10 (KowWin est)

Log Kaw used: -16.751 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 21.851

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9116

Biowin2 (Non-Linear Model) : 0.9796

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1148 (weeks )

Biowin4 (Primary Survey Model) : 4.1519 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7745

Biowin6 (MITI Non-Linear Model): 0.8343

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3710

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): 2.95E-009 Pa (2.21E-011 mm Hg)

Log Koa (Koawin est ): 21.851

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

Mackay model : 1.02E+003

Octanol/air (Koa) model: 1.74E+009

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 = 39.1849 E-12 cm3/molecule-sec

Half-Life = 0.273 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.276 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 : 5373 L/kg (MCI method)

Log Koc: 3.730 (MCI method)

Koc : 666.7 L/kg (Kow method)

Log Koc: 2.824 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1703 days (HL = 0.6756 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.438 (BCF = 273.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.439 (BAF = 274.8)

log Kow used: 5.10 (estimated)

Volatilization from Water:

Henry LC: 4.34E-019 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.704E+015 hours (1.127E+014 days)

Half-Life from Model Lake : 2.949E+016 hours (1.229E+015 days)

Removal In Wastewater Treatment:

Total removal: 80.63 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 79.94 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 5.56e-007 6.55 1000

Water 15.5 360 1000

Soil 82 720 1000

Sediment 2.54 3.24e+003 0

Persistence Time: 801 hr

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