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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