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CAS Number: 41755-67-3
SMILES : O=C(OC(C(C(C1C2)(C)C)(C2)C)C1)C=Cc(cccc3)c3
CHEM :
MOL FOR: C19 H24 O2
MOL WT : 284.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 5.84
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 353.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 117.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.37E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00182 (Modified Grain method)
Subcooled liquid VP: 0.000111 mm Hg (25 deg C, Mod-Grain method)
: 0.0148 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1554
log Kow used: 5.84 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.14533 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.03E-005 atm-m3/mole (1.04E+000 Pa-m3/mole)
Group Method: 6.58E-007 atm-m3/mole (6.67E-002 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: 3.299E-005 atm-m3/mole (3.343E+000 Pa-m3/mole)
VP: 1.37E-005 mm Hg (source: MPBPVP)
WS: 0.155 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.84 (KowWin est)
Log Kaw used: -3.376 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.216
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5466
Biowin2 (Non-Linear Model) : 0.8026
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3087 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3644 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4838
Biowin6 (MITI Non-Linear Model): 0.2186
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5864
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): 0.0148 Pa (0.000111 mm Hg)
Log Koa (Koawin est ): 9.216
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000203
Octanol/air (Koa) model: 0.000404
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00727
Mackay model : 0.016
Octanol/air (Koa) model: 0.0313
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.2722 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 31.9322 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 4.385 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 4.020 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.0116 (Junge-Pankow, Mackay avg)
0.0313 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.024E+004 L/kg (MCI method)
Log Koc: 4.481 (MCI method)
Koc : 1.23E+004 L/kg (Kow method)
Log Koc: 4.090 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.952E-003 L/mol-sec
Kb Half-Life at pH 8: 2.454 years
Kb Half-Life at pH 7: 24.535 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.521 (BCF = 3317 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3670 days (HL = 2.328 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.920 (BCF = 831.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.995 (BAF = 987.5)
log Kow used: 5.84 (estimated)
Volatilization from Water:
Henry LC: 6.58E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1502 hours (62.59 days)
Half-Life from Model Lake : 1.653E+004 hours (688.7 days)
Removal In Wastewater Treatment:
Total removal: 91.33 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 90.57 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.205 6.57 1000
Water 12.7 900 1000
Soil 65.9 1.8e+003 1000
Sediment 21.2 8.1e+003 0
Persistence Time: 1.35e+003 hr