This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 883215-02-9
SMILES : CC(C)C(C)(C(=O)NCCO)C(C)C
CHEM : N-(2-Hydroxyethyl)-2,3-dimethyl-2-isopropylbutanamide
MOL FOR: C11 H23 N1 O2
MOL WT : 201.31
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 1.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 344.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 112.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.07E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000142 (Modified Grain method)
Subcooled liquid VP: 7.73E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00103 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2213
log Kow used: 1.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 54028 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.66E-012 atm-m3/mole (8.78E-007 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: 1.281E-010 atm-m3/mole (1.298E-005 Pa-m3/mole)
VP: 1.07E-006 mm Hg (source: MPBPVP)
WS: 2.21E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.51 (KowWin est)
Log Kaw used: -9.451 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.961
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8367
Biowin2 (Non-Linear Model) : 0.9034
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6479 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7387 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4682
Biowin6 (MITI Non-Linear Model): 0.4402
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6108
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): 0.00103 Pa (7.73E-006 mm Hg)
Log Koa (Koawin est ): 10.961
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00291
Octanol/air (Koa) model: 0.0224
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0951
Mackay model : 0.189
Octanol/air (Koa) model: 0.642
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.7026 E-12 cm3/molecule-sec
Half-Life = 0.348 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.180 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.142 (Junge-Pankow, Mackay avg)
0.642 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 22.97 L/kg (MCI method)
Log Koc: 1.361 (MCI method)
Koc : 21.05 L/kg (Kow method)
Log Koc: 1.323 (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 v3.00):
Log BCF from regression-based method = 0.663 (BCF = 4.604 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6531 days (HL = 0.02223 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.359 (BCF = 2.283)
Log BAF Arnot-Gobas method (upper trophic) = 0.359 (BAF = 2.283)
log Kow used: 1.51 (estimated)
Volatilization from Water:
Henry LC: 8.66E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.592E+007 hours (3.997E+006 days)
Half-Life from Model Lake : 1.046E+009 hours (4.36E+007 days)
Removal In Wastewater Treatment:
Total removal: 1.98 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.88 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 0.000102 8.36 1000
Water 27.9 900 1000
Soil 72 1.8e+003 1000
Sediment 0.0838 8.1e+003 0
Persistence Time: 1.3e+003 hr