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CAS Number: 84878-33-1
SMILES : O=C(OCCCCCCCCCCCCCCCC)CCCCCC(C)C
CHEM :
MOL FOR: C25 H50 O2
MOL WT : 382.68
------------------------------ 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) = 11.10
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 411.62 (Adapted Stein & Brown method)
Melting Pt (deg C): 126.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.24E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 5.66E-005 (Modified Grain method)
Subcooled liquid VP: 4.33E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000578 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.289e-006
log Kow used: 11.10 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4965e-006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.93E-002 atm-m3/mole (9.05E+003 Pa-m3/mole)
Group Method: 2.68E-001 atm-m3/mole (2.72E+004 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: 1.656E-001 atm-m3/mole (1.678E+004 Pa-m3/mole)
VP: 4.24E-007 mm Hg (source: MPBPVP)
WS: 1.29E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.10 (KowWin est)
Log Kaw used: 0.562 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.538
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8480
Biowin2 (Non-Linear Model) : 0.9706
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7921 (weeks )
Biowin4 (Primary Survey Model) : 3.7937 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8563
Biowin6 (MITI Non-Linear Model): 0.9222
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8054
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000577 Pa (4.33E-006 mm Hg)
Log Koa (Koawin est ): 10.538
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0052
Octanol/air (Koa) model: 0.00847
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.158
Mackay model : 0.294
Octanol/air (Koa) model: 0.404
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.2529 E-12 cm3/molecule-sec
Half-Life = 0.354 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.243 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.226 (Junge-Pankow, Mackay avg)
0.404 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.463E+006 L/kg (MCI method)
Log Koc: 6.165 (MCI method)
Koc : 9.983E+006 L/kg (Kow method)
Log Koc: 6.999 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.369E-002 L/mol-sec
Kb Half-Life at pH 8: 338.674 days
Kb Half-Life at pH 7: 9.272 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.517 (BCF = 32.86 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1957 days (HL = 15.69 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.053 (BCF = 1.13)
Log BAF Arnot-Gobas method (upper trophic) = 1.875 (BAF = 75.03)
log Kow used: 11.10 (estimated)
Volatilization from Water:
Henry LC: 0.268 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2 hours
Half-Life from Model Lake : 185.9 hours (7.744 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.754 8.49 1000
Water 24.3 360 1000
Soil 74.8 720 1000
Sediment 0.167 3.24e+003 0
Persistence Time: 471 hr