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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


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

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