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CAS Number: 128165-66-2
SMILES : CCCCCCCCC(CCCCCC)COC(=O)C(CC)CCCC
CHEM :
MOL FOR: C24 H48 O2
MOL WT : 368.65
------------------------------ 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) = 10.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 393.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 107.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.9E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000254 (Modified Grain method)
Subcooled liquid VP: 1.23E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00164 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.768e-006
log Kow used: 10.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.3201e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.73E-002 atm-m3/mole (6.82E+003 Pa-m3/mole)
Group Method: 2.94E-001 atm-m3/mole (2.98E+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: 1.933E-001 atm-m3/mole (1.959E+004 Pa-m3/mole)
VP: 1.9E-006 mm Hg (source: MPBPVP)
WS: 4.77E-006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.54 (KowWin est)
Log Kaw used: 0.440 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.100
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0715
Biowin2 (Non-Linear Model) : 0.9994
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4197 (days-weeks )
Biowin4 (Primary Survey Model) : 4.3520 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6995
Biowin6 (MITI Non-Linear Model): 0.8189
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1534
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): 0.00164 Pa (1.23E-005 mm Hg)
Log Koa (Koawin est ): 10.100
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00183
Octanol/air (Koa) model: 0.00309
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.062
Mackay model : 0.128
Octanol/air (Koa) model: 0.198
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.5790 E-12 cm3/molecule-sec
Half-Life = 0.374 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.491 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0948 (Junge-Pankow, Mackay avg)
0.198 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.268E+005 L/kg (MCI method)
Log Koc: 5.917 (MCI method)
Koc : 4.892E+006 L/kg (Kow method)
Log Koc: 6.689 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.935E-004 L/mol-sec
Kb Half-Life at pH 8: 24.581 years
Kb Half-Life at pH 7: 245.806 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.793 (BCF = 62.13 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1077 days (HL = 12.81 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.206 (BCF = 1.608)
Log BAF Arnot-Gobas method (upper trophic) = 2.216 (BAF = 164.5)
log Kow used: 10.54 (estimated)
Volatilization from Water:
Henry LC: 0.294 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.963 hours
Half-Life from Model Lake : 182.4 hours (7.6 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.39 8.98 1000
Water 27.6 208 1000
Soil 70.7 416 1000
Sediment 0.241 1.87e+003 0
Persistence Time: 279 hr