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CAS Number: 41137-60-4
SMILES : O=C(NCC(CC(CCNC(=O)OCCOC(=O)C(=C)C)C)(C)C)OCCOC(=O)C(=C)C
CHEM : 11,14-Dioxa-2,9-diazaheptadec-16-enoic acid, 4,4,6,16-tetramethyl-10,
15-dioxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl
MOL FOR: C23 H38 N2 O8
MOL WT : 470.57
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.69
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 473.88 (Adapted Stein & Brown method)
Melting Pt (deg C): 169.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.99E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 5.32E-007 (Modified Grain method)
Subcooled liquid VP: 1.25E-007 mm Hg (25 deg C, Mod-Grain method)
: 1.66E-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): 0.1089
log Kow used: 4.69 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.0735 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.07E-014 atm-m3/mole (1.08E-009 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: 2.269E-008 atm-m3/mole (2.299E-003 Pa-m3/mole)
VP: 3.99E-009 mm Hg (source: MPBPVP)
WS: 0.109 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.69 (KowWin est)
Log Kaw used: -12.359 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.049
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8470
Biowin2 (Non-Linear Model) : 0.9917
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1342 (months )
Biowin4 (Primary Survey Model) : 3.8606 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3518
Biowin6 (MITI Non-Linear Model): 0.2006
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1957
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): 1.67E-005 Pa (1.25E-007 mm Hg)
Log Koa (Koawin est ): 17.049
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.18
Octanol/air (Koa) model: 2.75E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.867
Mackay model : 0.935
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 79.8522 E-12 cm3/molecule-sec
Half-Life = 0.134 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.607 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec
Half-Life = 0.504 Days (at 7E11 mol/cm3)
Half-Life = 12.090 Hrs
Fraction sorbed to airborne particulates (phi):
0.901 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4516 L/kg (MCI method)
Log Koc: 3.655 (MCI method)
Koc : 1512 L/kg (Kow method)
Log Koc: 3.179 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.481E-002 L/mol-sec
Kb Half-Life at pH 8: 1.483 years
Kb Half-Life at pH 7: 14.833 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.387 (BCF = 24.41 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.0517 days (HL = 0.0008878 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.58)
Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.58)
log Kow used: 4.69 (estimated)
Volatilization from Water:
Henry LC: 1.07E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.187E+011 hours (4.946E+009 days)
Half-Life from Model Lake : 1.295E+012 hours (5.395E+010 days)
Removal In Wastewater Treatment:
Total removal: 65.52 percent
Total biodegradation: 0.59 percent
Total sludge adsorption: 64.93 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 4.65e-007 2.54 1000
Water 8.44 1.44e+003 1000
Soil 88.8 2.88e+003 1000
Sediment 2.8 1.3e+004 0
Persistence Time: 2.94e+003 hr