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CAS Num: 067845-59-4
SMILES : O(C(OCC)C(=Cc(cccc1)c1)CCCCCC)CC
CHEM : Benzene, [2-(diethoxymethyl)-1-octenyl]-
MOL FOR: C19 H30 O2
MOL WT : 290.45
------------------------------ 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) = 6.19
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 354.87 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.99E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00398 (Modified Grain method)
Subcooled liquid VP: 0.000101 mm Hg (25 deg C, Mod-Grain method)
: 0.0135 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.07194
log Kow used: 6.19 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.207 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.39E-005 atm-m3/mole (3.43E+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: 1.588E-004 atm-m3/mole (1.609E+001 Pa-m3/mole)
VP: 2.99E-005 mm Hg (source: MPBPVP)
WS: 0.0719 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.19 (KowWin est)
Log Kaw used: -2.858 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.048
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1511
Biowin2 (Non-Linear Model) : 0.0130
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8603 (weeks )
Biowin4 (Primary Survey Model) : 3.6832 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1947
Biowin6 (MITI Non-Linear Model): 0.0773
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5513
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): 0.0135 Pa (0.000101 mm Hg)
Log Koa (Koawin est ): 9.048
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000223
Octanol/air (Koa) model: 0.000274
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00798
Mackay model : 0.0175
Octanol/air (Koa) model: 0.0215
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 114.8844 E-12 cm3/molecule-sec
Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.117 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec
Half-Life = 0.013 Days (at 7E11 mol/cm3)
Half-Life = 18.599 Min
Fraction sorbed to airborne particulates (phi):
0.0127 (Junge-Pankow, Mackay avg)
0.0215 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.708E+004 L/kg (MCI method)
Log Koc: 4.232 (MCI method)
Koc : 1.472E+004 L/kg (Kow method)
Log Koc: 4.168 (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 = 3.752 (BCF = 5652 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7219 days (HL = 5.271 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.195 (BCF = 1565)
Log BAF Arnot-Gobas method (upper trophic) = 3.654 (BAF = 4512)
log Kow used: 6.19 (estimated)
Volatilization from Water:
Henry LC: 3.39E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 31.17 hours (1.299 days)
Half-Life from Model Lake : 483 hours (20.12 days)
Removal In Wastewater Treatment:
Total removal: 92.82 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.02 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0286 0.272 1000
Water 20.4 360 1000
Soil 70.1 720 1000
Sediment 9.48 3.24e+003 0
Persistence Time: 494 hr