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CAS Num: 019550-54-0
SMILES : OC(CC)CC(CCC=C(C)C)C
CHEM : 8-Decen-3-ol, 5,9-dimethyl-
MOL FOR: C12 H24 O1
MOL WT : 184.32
------------------------------ 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) = 4.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 247.65 (Adapted Stein & Brown method)
Melting Pt (deg C): -2.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00379 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.505 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 26.15
log Kow used: 4.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 78.819 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.00E-004 atm-m3/mole (1.01E+001 Pa-m3/mole)
Group Method: 7.05E-005 atm-m3/mole (7.15E+000 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: 3.515E-005 atm-m3/mole (3.562E+000 Pa-m3/mole)
VP: 0.00379 mm Hg (source: MPBPVP)
WS: 26.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.46 (KowWin est)
Log Kaw used: -2.388 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.848
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8185
Biowin2 (Non-Linear Model) : 0.8189
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9518 (weeks )
Biowin4 (Primary Survey Model) : 3.7113 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4291
Biowin6 (MITI Non-Linear Model): 0.4584
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3493
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): 0.488 Pa (0.00366 mm Hg)
Log Koa (Koawin est ): 6.848
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.15E-006
Octanol/air (Koa) model: 1.73E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000222
Mackay model : 0.000492
Octanol/air (Koa) model: 0.000138
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 105.9779 E-12 cm3/molecule-sec
Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.211 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):
0.000357 (Junge-Pankow, Mackay avg)
0.000138 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 275.3 L/kg (MCI method)
Log Koc: 2.440 (MCI method)
Koc : 956.3 L/kg (Kow method)
Log Koc: 2.981 (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 = 2.612 (BCF = 409.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0942 days (HL = 1.242 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.648 (BCF = 444.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.649 (BAF = 445.8)
log Kow used: 4.46 (estimated)
Volatilization from Water:
Henry LC: 0.0001 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.334 hours
Half-Life from Model Lake : 215.7 hours (8.986 days)
Removal In Wastewater Treatment:
Total removal: 55.33 percent
Total biodegradation: 0.49 percent
Total sludge adsorption: 52.69 percent
Total to Air: 2.15 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0749 0.506 1000
Water 23.1 360 1000
Soil 76.6 720 1000
Sediment 0.281 3.24e+003 0
Persistence Time: 409 hr