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CAS Number: 10285-07-1
SMILES : CC(C(C(C)C)(C(=O)OCC1=CCN2C1C(CC2)O)O)O
CHEM :
MOL FOR: C15 H25 N1 O5
MOL WT : 299.37
------------------------------ 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) = 0.91
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 410.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 160.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.08E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 8.1E-008 (Modified Grain method)
Subcooled liquid VP: 1.49E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.98E-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): 2.092e+004
log Kow used: 0.91 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.22E-011 atm-m3/mole (6.31E-006 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: 1.145E-014 atm-m3/mole (1.160E-009 Pa-m3/mole)
VP: 6.08E-010 mm Hg (source: MPBPVP)
WS: 2.09E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.91 (KowWin est)
Log Kaw used: -8.595 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.505
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7075
Biowin2 (Non-Linear Model) : 0.7552
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5308 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4622 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5099
Biowin6 (MITI Non-Linear Model): 0.2082
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0347
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): 1.99E-006 Pa (1.49E-008 mm Hg)
Log Koa (Koawin est ): 9.505
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.51
Octanol/air (Koa) model: 0.000785
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.982
Mackay model : 0.992
Octanol/air (Koa) model: 0.0591
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 157.4557 E-12 cm3/molecule-sec
Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.815 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.987 (Junge-Pankow, Mackay avg)
0.0591 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 13.39 L/kg (MCI method)
Log Koc: 1.127 (MCI method)
Koc : 2.983 L/kg (Kow method)
Log Koc: 0.475 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.732E-006 L/mol-sec
Kb Half-Life at pH 8: 5885.616 years
Kb Half-Life at pH 7: 5.886E+004 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) = -2.5515 days (HL = 0.002809 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.018 (BCF = 1.042)
Log BAF Arnot-Gobas method (upper trophic) = 0.018 (BAF = 1.042)
log Kow used: 0.91 (estimated)
Volatilization from Water:
Henry LC: 6.22E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.629E+007 hours (6.786E+005 days)
Half-Life from Model Lake : 1.777E+008 hours (7.403E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.88 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.79 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 0.0186 0.459 1000
Water 37.1 900 1000
Soil 62.8 1.8e+003 1000
Sediment 0.0946 8.1e+003 0
Persistence Time: 847 hr