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CAS Number: 25377-64-4
SMILES : OCCN(CCO)C(=O)C=CCCCCCCCC
CHEM :
MOL FOR: C15 H29 N1 O3
MOL WT : 271.40
------------------------------ 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) = 2.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 422.61 (Adapted Stein & Brown method)
Melting Pt (deg C): 153.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.64E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 1.02E-007 (Modified Grain method)
Subcooled liquid VP: 1.58E-008 mm Hg (25 deg C, Mod-Grain method)
: 2.11E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 247.2
log Kow used: 2.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4459.9 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylamides
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.63E-013 atm-m3/mole (7.73E-008 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: 1.104E-012 atm-m3/mole (1.118E-007 Pa-m3/mole)
VP: 7.64E-010 mm Hg (source: MPBPVP)
WS: 247 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.18 (KowWin est)
Log Kaw used: -10.506 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.686
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2544
Biowin2 (Non-Linear Model) : 0.9973
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1635 (weeks )
Biowin4 (Primary Survey Model) : 4.1896 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9100
Biowin6 (MITI Non-Linear Model): 0.9157
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2753
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): 2.11E-006 Pa (1.58E-008 mm Hg)
Log Koa (Koawin est ): 12.686
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42
Octanol/air (Koa) model: 1.19
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.981
Mackay model : 0.991
Octanol/air (Koa) model: 0.99
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.0122 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 64.6722 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.070 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.985 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.568750 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.986 (Junge-Pankow, Mackay avg)
0.99 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 21.69 L/kg (MCI method)
Log Koc: 1.336 (MCI method)
Koc : 18.23 L/kg (Kow method)
Log Koc: 1.261 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.105 (BCF = 12.72 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5387 days (HL = 0.02893 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.777 (BCF = 5.989)
Log BAF Arnot-Gobas method (upper trophic) = 0.777 (BAF = 5.989)
log Kow used: 2.18 (estimated)
Volatilization from Water:
Henry LC: 7.63E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.264E+009 hours (5.267E+007 days)
Half-Life from Model Lake : 1.379E+010 hours (5.746E+008 days)
Removal In Wastewater Treatment:
Total removal: 2.45 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.35 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 0.000972 3.81 1000
Water 26.2 360 1000
Soil 73.7 720 1000
Sediment 0.0717 3.24e+003 0
Persistence Time: 677 hr