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CAS Number: 2082-76-0
SMILES : CCCCCCCCCC(=O)OC(=O)CCCCCCCCC
CHEM : DECANOIC ANHYDRIDE
MOL FOR: C20 H38 O3
MOL WT : 326.52
------------------------------ 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) = 7.28
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 348.99 (Adapted Stein & Brown method)
Melting Pt (deg C): 81.59 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00014 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0186 (Modified Grain method)
MP (exp database): 24.7 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.005194
log Kow used: 7.28 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0047839 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.32E-003 atm-m3/mole (3.36E+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: 1.158E-002 atm-m3/mole (1.173E+003 Pa-m3/mole)
VP: 0.00014 mm Hg (source: MPBPVP)
WS: 0.00519 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.28 (KowWin est)
Log Kaw used: -0.867 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.147
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8090
Biowin2 (Non-Linear Model) : 0.8869
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0743 (weeks )
Biowin4 (Primary Survey Model) : 3.9148 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5322
Biowin6 (MITI Non-Linear Model): 0.5025
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4573
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): 0.0187 Pa (0.00014 mm Hg)
Log Koa (Koawin est ): 8.147
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000161
Octanol/air (Koa) model: 3.44E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00577
Mackay model : 0.0127
Octanol/air (Koa) model: 0.00275
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.3011 E-12 cm3/molecule-sec
Half-Life = 0.527 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.322 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00923 (Junge-Pankow, Mackay avg)
0.00275 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1698 L/kg (MCI method)
Log Koc: 3.230 (MCI method)
Koc : 3.114E+004 L/kg (Kow method)
Log Koc: 4.493 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.057E+002 L/mol-sec
Kb Half-Life at pH 8: 19.073 minutes
Kb Half-Life at pH 7: 3.179 hours
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.390 (BCF = 2456 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8086 days (HL = 6.435 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.707 (BCF = 508.8)
Log BAF Arnot-Gobas method (upper trophic) = 4.089 (BAF = 1.229e+004)
log Kow used: 7.28 (estimated)
Volatilization from Water:
Henry LC: 0.00332 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.163 hours
Half-Life from Model Lake : 175.1 hours (7.296 days)
Removal In Wastewater Treatment:
Total removal: 93.96 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.05 percent
Total to Air: 0.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.28 12.6 1000
Water 23.3 360 1000
Soil 73.7 720 1000
Sediment 0.675 3.24e+003 0
Persistence Time: 349 hr