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CAS Number: 202527-57-9

SMILES : CC2(C)C1CC=C(COC)C2C1

CHEM :

MOL FOR: C11 H18 O1

MOL WT : 166.27

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 3.50

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 199.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.524 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 69.8 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 65.27

log Kow used: 3.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 165.39 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Ethers

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.23E-003 atm-m3/mole (2.26E+002 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: 1.756E-003 atm-m3/mole (1.780E+002 Pa-m3/mole)

VP: 0.524 mm Hg (source: MPBPVP)

WS: 65.3 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.50 (KowWin est)

Log Kaw used: -1.040 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.540

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1371

Biowin2 (Non-Linear Model) : 0.0109

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6110 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4447 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4078

Biowin6 (MITI Non-Linear Model): 0.2224

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2028

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): 64.1 Pa (0.481 mm Hg)

Log Koa (Koawin est ): 4.540

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.68E-008

Octanol/air (Koa) model: 8.51E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.69E-006

Mackay model : 3.74E-006

Octanol/air (Koa) model: 6.81E-007

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.1387 E-12 cm3/molecule-sec

Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.321 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):

2.72E-006 (Junge-Pankow, Mackay avg)

6.81E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 476.7 L/kg (MCI method)

Log Koc: 2.678 (MCI method)

Koc : 589.5 L/kg (Kow method)

Log Koc: 2.770 (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 v3.01):

Log BCF from regression-based method = 1.978 (BCF = 95.14 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5153 days (HL = 3.275 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.433 (BCF = 270.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.433 (BAF = 271.3)

log Kow used: 3.50 (estimated)

Volatilization from Water:

Henry LC: 0.00223 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.654 hours

Half-Life from Model Lake : 126.2 hours (5.257 days)

Removal In Wastewater Treatment:

Total removal: 52.37 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 10.11 percent

Total to Air: 42.14 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.148 0.515 1000

Water 22.9 900 1000

Soil 76.4 1.8e+003 1000

Sediment 0.603 8.1e+003 0

Persistence Time: 369 hr

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