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: 22418-73-1
SMILES : ON=C(C)CCC=C(C)C
CHEM :
MOL FOR: C8 H15 N1 O1
MOL WT : 141.21
------------------------------ 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) = 3.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 237.62 (Adapted Stein & Brown method)
Melting Pt (deg C): -21.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00719 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.958 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 85.07
log Kow used: 3.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 84.254 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.34E-005 atm-m3/mole (3.38E+000 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: 1.570E-005 atm-m3/mole (1.591E+000 Pa-m3/mole)
VP: 0.00719 mm Hg (source: MPBPVP)
WS: 85.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.50 (KowWin est)
Log Kaw used: -2.865 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.365
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6803
Biowin2 (Non-Linear Model) : 0.7317
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8871 (weeks )
Biowin4 (Primary Survey Model) : 3.6440 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3983
Biowin6 (MITI Non-Linear Model): 0.3531
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5758
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): 0.905 Pa (0.00679 mm Hg)
Log Koa (Koawin est ): 6.365
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.31E-006
Octanol/air (Koa) model: 5.69E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00012
Mackay model : 0.000265
Octanol/air (Koa) model: 4.55E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 89.9012 E-12 cm3/molecule-sec
Half-Life = 0.119 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.428 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):
0.000192 (Junge-Pankow, Mackay avg)
4.55E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1074 L/kg (MCI method)
Log Koc: 3.031 (MCI method)
Koc : 1090 L/kg (Kow method)
Log Koc: 3.037 (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 = 1.976 (BCF = 94.53 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0587 days (HL = 1.145 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.294 (BCF = 196.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.294 (BAF = 196.9)
log Kow used: 3.50 (estimated)
Volatilization from Water:
Henry LC: 3.34E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 22.04 hours
Half-Life from Model Lake : 340.1 hours (14.17 days)
Removal In Wastewater Treatment:
Total removal: 14.49 percent
Total biodegradation: 0.18 percent
Total sludge adsorption: 12.74 percent
Total to Air: 1.57 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0612 0.523 1000
Water 23.2 360 1000
Soil 75.9 720 1000
Sediment 0.873 3.24e+003 0
Persistence Time: 449 hr