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CAS Num: 131812-67-4
SMILES : CC1(c2ccc3c(c2)C(C=CC3(C)C)(C)C)OC(CO1)C
CHEM : 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl
-2-naphthalenyl)-
MOL FOR: C19 H26 O2
MOL WT : 286.42
------------------------------ 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) = 6.39
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 350.38 (Adapted Stein & Brown method)
Melting Pt (deg C): 124.35 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.33E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00177 (Modified Grain method)
Subcooled liquid VP: 0.000129 mm Hg (25 deg C, Mod-Grain method)
: 0.0172 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.05094
log Kow used: 6.39 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.1445 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.20E-006 atm-m3/mole (8.31E-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: 9.840E-005 atm-m3/mole (9.970E+000 Pa-m3/mole)
VP: 1.33E-005 mm Hg (source: MPBPVP)
WS: 0.0509 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.39 (KowWin est)
Log Kaw used: -3.475 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.865
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.6353
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9125 (months )
Biowin4 (Primary Survey Model) : 2.9547 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1375
Biowin6 (MITI Non-Linear Model): 0.0160
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.6724
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): 0.0172 Pa (0.000129 mm Hg)
Log Koa (Koawin est ): 9.865
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000174
Octanol/air (Koa) model: 0.0018
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00626
Mackay model : 0.0138
Octanol/air (Koa) model: 0.126
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 82.8669 E-12 cm3/molecule-sec
Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.549 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.01 (Junge-Pankow, Mackay avg)
0.126 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7623 L/kg (MCI method)
Log Koc: 3.882 (MCI method)
Koc : 1.898E+004 L/kg (Kow method)
Log Koc: 4.278 (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 = 3.886 (BCF = 7692 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3981 days (HL = 25.01 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.712 (BCF = 5157)
Log BAF Arnot-Gobas method (upper trophic) = 5.270 (BAF = 1.862e+005)
log Kow used: 6.39 (estimated)
Volatilization from Water:
Henry LC: 8.2E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 122.6 hours (5.107 days)
Half-Life from Model Lake : 1479 hours (61.62 days)
Removal In Wastewater Treatment:
Insufficient Data Available to Estimate Wastewater Treatment Plant.
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0326 3.04 1000
Water 5.93 4.32e+003 1000
Soil 89.5 8.64e+003 1000
Sediment 4.56 3.89e+004 0
Persistence Time: 4.55e+003 hr