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CAS Number: 61481-02-5
SMILES : C1CCN(C1)Cc2ccc(o2)CO
CHEM :
MOL FOR: C10 H15 N1 O2
MOL WT : 181.24
------------------------------ 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) = 1.07
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 293.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 79.81 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.05E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00806 (Modified Grain method)
Subcooled liquid VP: 0.000201 mm Hg (25 deg C, Mod-Grain method)
: 0.0268 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.768e+004
log Kow used: 1.07 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.7003e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Benzyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.23E-011 atm-m3/mole (9.35E-006 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: 2.132E-010 atm-m3/mole (2.160E-005 Pa-m3/mole)
VP: 6.05E-005 mm Hg (source: MPBPVP)
WS: 6.77E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.07 (KowWin est)
Log Kaw used: -8.423 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.493
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6147
Biowin2 (Non-Linear Model) : 0.3385
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7038 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4277 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2332
Biowin6 (MITI Non-Linear Model): 0.1673
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7916
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): 0.0268 Pa (0.000201 mm Hg)
Log Koa (Koawin est ): 9.493
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000112
Octanol/air (Koa) model: 0.000764
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00403
Mackay model : 0.00888
Octanol/air (Koa) model: 0.0576
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 216.1864 E-12 cm3/molecule-sec
Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.594 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00645 (Junge-Pankow, Mackay avg)
0.0576 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 93.39 L/kg (MCI method)
Log Koc: 1.970 (MCI method)
Koc : 10.97 L/kg (Kow method)
Log Koc: 1.040 (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 = 0.116 (BCF = 1.307 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.6303 days (HL = 0.002343 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.058 (BCF = 1.142)
Log BAF Arnot-Gobas method (upper trophic) = 0.058 (BAF = 1.142)
log Kow used: 1.07 (estimated)
Volatilization from Water:
Henry LC: 9.23E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.54E+006 hours (3.558E+005 days)
Half-Life from Model Lake : 9.316E+007 hours (3.882E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.89 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 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 0.000784 1.19 1000
Water 17.7 900 1000
Soil 82.2 1.8e+003 1000
Sediment 0.113 8.1e+003 0
Persistence Time: 1.58e+003 hr