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CAS Num: 000705-73-7
SMILES : OC(CCC)Cc(cccc1)c1
CHEM : Benzeneethanol, .alpha.-propyl-
MOL FOR: C11 H16 O1
MOL WT : 164.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 261.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 26.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00149 (Modified Grain method)
VP (Pa, 25 deg C) : 0.198 (Modified Grain method)
Subcooled liquid VP: 0.00152 mm Hg (25 deg C, Mod-Grain method)
: 0.202 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 620.1
log Kow used: 2.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 585.04 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.75E-007 atm-m3/mole (6.84E-002 Pa-m3/mole)
Group Method: 4.77E-007 atm-m3/mole (4.83E-002 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.193E-007 atm-m3/mole (5.262E-002 Pa-m3/mole)
VP: 0.00149 mm Hg (source: MPBPVP)
WS: 620 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.97 (KowWin est)
Log Kaw used: -4.559 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.529
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0108
Biowin2 (Non-Linear Model) : 0.9848
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9433 (weeks )
Biowin4 (Primary Survey Model) : 3.6766 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4186
Biowin6 (MITI Non-Linear Model): 0.5107
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3946
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): 0.203 Pa (0.00152 mm Hg)
Log Koa (Koawin est ): 7.529
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.48E-005
Octanol/air (Koa) model: 8.3E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000534
Mackay model : 0.00118
Octanol/air (Koa) model: 0.000663
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.1356 E-12 cm3/molecule-sec
Half-Life = 0.559 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.707 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000859 (Junge-Pankow, Mackay avg)
0.000663 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 208.4 L/kg (MCI method)
Log Koc: 2.319 (MCI method)
Koc : 143.4 L/kg (Kow method)
Log Koc: 2.156 (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 = 1.369 (BCF = 23.37 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8634 days (HL = 0.137 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.548 (BCF = 35.33)
Log BAF Arnot-Gobas method (upper trophic) = 1.548 (BAF = 35.33)
log Kow used: 2.97 (estimated)
Volatilization from Water:
Henry LC: 4.77E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1574 hours (65.6 days)
Half-Life from Model Lake : 1.728E+004 hours (720.1 days)
Removal In Wastewater Treatment:
Total removal: 5.47 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.32 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.04 13.4 1000
Water 25.3 360 1000
Soil 73.4 720 1000
Sediment 0.248 3.24e+003 0
Persistence Time: 479 hr