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CAS Number: 551-57-5
SMILES : O=C(OCC2C1N(CCC1)CC2)C(O)(C(O)C)C(C)C
CHEM :
MOL FOR: C15 H27 N1 O4
MOL WT : 285.39
------------------------------ 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) = 2.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 370.61 (Adapted Stein & Brown method)
Melting Pt (deg C): 132.81 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.02E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 6.69E-006 (Modified Grain method)
Subcooled liquid VP: 6.05E-007 mm Hg (25 deg C, Mod-Grain method)
: 8.07E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1035
log Kow used: 2.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.988e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.64E-009 atm-m3/mole (1.66E-004 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: 1.821E-011 atm-m3/mole (1.845E-006 Pa-m3/mole)
VP: 5.02E-008 mm Hg (source: MPBPVP)
WS: 1.04E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.54 (KowWin est)
Log Kaw used: -7.174 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.714
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5554
Biowin2 (Non-Linear Model) : 0.5517
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4018 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3530 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4236
Biowin6 (MITI Non-Linear Model): 0.1837
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.3340
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): 8.07E-005 Pa (6.05E-007 mm Hg)
Log Koa (Koawin est ): 9.714
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0372
Octanol/air (Koa) model: 0.00127
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.573
Mackay model : 0.748
Octanol/air (Koa) model: 0.0923
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 71.6733 E-12 cm3/molecule-sec
Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.791 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.661 (Junge-Pankow, Mackay avg)
0.0923 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 23.78 L/kg (Kow method)
Log Koc: 1.376 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.091E-007 L/mol-sec
Kb Half-Life at pH 8: 3.097E+004 years
Kb Half-Life at pH 7: 3.097E+005 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.341 (BCF = 21.93 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.8614 days (HL = 0.01376 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.695 (BCF = 4.953)
Log BAF Arnot-Gobas method (upper trophic) = 0.695 (BAF = 4.953)
log Kow used: 2.54 (estimated)
Volatilization from Water:
Henry LC: 1.64E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.031E+005 hours (2.513E+004 days)
Half-Life from Model Lake : 6.579E+006 hours (2.741E+005 days)
Removal In Wastewater Treatment:
Total removal: 3.22 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.11 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 0.0401 3.58 1000
Water 36.2 900 1000
Soil 63.6 1.8e+003 1000
Sediment 0.0865 8.1e+003 0
Persistence Time: 1.03e+003 hr