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CAS Number:
SMILES : CC(C)(C)C1CCCCC1N2CC(CC2(=O))C(=O)N3CCCC3
CHEM :
MOL FOR: C19 H32 N2 O2
MOL WT : 320.48
------------------------------ 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) = 3.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 450.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 187.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.36E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.25E-006 (Modified Grain method)
Subcooled liquid VP: 4.7E-007 mm Hg (25 deg C, Mod-Grain method)
: 6.26E-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): 11.13
log Kow used: 3.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 579.88 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.61E-010 atm-m3/mole (1.63E-005 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: 3.546E-010 atm-m3/mole (3.593E-005 Pa-m3/mole)
VP: 9.36E-009 mm Hg (source: MPBPVP)
WS: 11.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.42 (KowWin est)
Log Kaw used: -8.182 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.602
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8313
Biowin2 (Non-Linear Model) : 0.8926
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1704 (months )
Biowin4 (Primary Survey Model) : 3.6428 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3154
Biowin6 (MITI Non-Linear Model): 0.0744
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.9544
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): 6.27E-005 Pa (4.7E-007 mm Hg)
Log Koa (Koawin est ): 11.602
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0479
Octanol/air (Koa) model: 0.0982
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.634
Mackay model : 0.793
Octanol/air (Koa) model: 0.887
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 75.4090 E-12 cm3/molecule-sec
Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.702 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.713 (Junge-Pankow, Mackay avg)
0.887 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 517.9 L/kg (MCI method)
Log Koc: 2.714 (MCI method)
Koc : 243.4 L/kg (Kow method)
Log Koc: 2.386 (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 = 1.925 (BCF = 84.09 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0604 days (HL = 0.08702 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.514 (BCF = 32.69)
Log BAF Arnot-Gobas method (upper trophic) = 1.514 (BAF = 32.69)
log Kow used: 3.42 (estimated)
Volatilization from Water:
Henry LC: 1.61E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.51E+006 hours (2.713E+005 days)
Half-Life from Model Lake : 7.102E+007 hours (2.959E+006 days)
Removal In Wastewater Treatment:
Total removal: 11.34 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 11.17 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 0.00264 3.4 1000
Water 10.4 1.44e+003 1000
Soil 89.2 2.88e+003 1000
Sediment 0.332 1.3e+004 0
Persistence Time: 2.67e+003 hr