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CAS Number: 18869-44-8
SMILES : O=C(OC)C(N)C(CC)C
CHEM :
MOL FOR: C7 H15 N1 O2
MOL WT : 145.20
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 0.72
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 179.43 (Adapted Stein & Brown method)
Melting Pt (deg C): -8.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.992 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 132 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.97e+005
log Kow used: 0.72 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.4813e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.12E-006 atm-m3/mole (1.13E-001 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: 9.621E-007 atm-m3/mole (9.748E-002 Pa-m3/mole)
VP: 0.992 mm Hg (source: MPBPVP)
WS: 1.97E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.72 (KowWin est)
Log Kaw used: -4.339 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.059
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0064
Biowin2 (Non-Linear Model) : 0.9978
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0429 (weeks )
Biowin4 (Primary Survey Model) : 3.9105 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6065
Biowin6 (MITI Non-Linear Model): 0.6865
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6408
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 120 Pa (0.902 mm Hg)
Log Koa (Koawin est ): 5.059
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.49E-008
Octanol/air (Koa) model: 2.81E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.01E-007
Mackay model : 2E-006
Octanol/air (Koa) model: 2.25E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.5154 E-12 cm3/molecule-sec
Half-Life = 0.329 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.947 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.45E-006 (Junge-Pankow, Mackay avg)
2.25E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 31.87 L/kg (MCI method)
Log Koc: 1.503 (MCI method)
Koc : 17.22 L/kg (Kow method)
Log Koc: 1.236 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.440E-005 L/mol-sec
Kb Half-Life at pH 8: 638.399 years
Kb Half-Life at pH 7: 6383.988 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) = -1.6650 days (HL = 0.02163 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.059 (BCF = 1.146)
Log BAF Arnot-Gobas method (upper trophic) = 0.059 (BAF = 1.146)
log Kow used: 0.72 (estimated)
Volatilization from Water:
Henry LC: 1.12E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 631.1 hours (26.3 days)
Half-Life from Model Lake : 6986 hours (291.1 days)
Removal In Wastewater Treatment:
Total removal: 1.93 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.837 7.9 1000
Water 32.9 360 1000
Soil 66.1 720 1000
Sediment 0.104 3.24e+003 0
Persistence Time: 414 hr