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CAS Number: 14027-78-2
SMILES : CCCCCOC(=O)CCCCC(=O)OCCCCC
CHEM : DIPENTYL ADIPATE
MOL FOR: C16 H30 O4
MOL WT : 286.42
------------------------------ 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) = 5.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 321.99 (Adapted Stein & Brown method)
Melting Pt (deg C): 12.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000602 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0803 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.4248
log Kow used: 5.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.59012 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.42E-006 atm-m3/mole (9.55E-001 Pa-m3/mole)
Group Method: 1.86E-006 atm-m3/mole (1.88E-001 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: 5.341E-004 atm-m3/mole (5.412E+001 Pa-m3/mole)
VP: 0.000602 mm Hg (source: MPBPVP)
WS: 0.425 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.32 (KowWin est)
Log Kaw used: -3.414 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.734
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1764
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4433 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4306 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1413
Biowin6 (MITI Non-Linear Model): 0.9872
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6971
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): 0.0803 Pa (0.000602 mm Hg)
Log Koa (Koawin est ): 8.734
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.74E-005
Octanol/air (Koa) model: 0.000133
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00135
Mackay model : 0.00298
Octanol/air (Koa) model: 0.0105
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.4990 E-12 cm3/molecule-sec
Half-Life = 0.690 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.281 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00216 (Junge-Pankow, Mackay avg)
0.0105 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1157 L/kg (MCI method)
Log Koc: 3.063 (MCI method)
Koc : 5452 L/kg (Kow method)
Log Koc: 3.737 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.063E-001 L/mol-sec
Kb Half-Life at pH 8: 75.431 days
Kb Half-Life at pH 7: 2.065 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.800 (BCF = 63.11 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3101 days (HL = 0.04896 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.320 (BCF = 20.92)
Log BAF Arnot-Gobas method (upper trophic) = 1.321 (BAF = 20.92)
log Kow used: 5.32 (estimated)
Volatilization from Water:
Henry LC: 1.86E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 534.5 hours (22.27 days)
Half-Life from Model Lake : 5972 hours (248.8 days)
Removal In Wastewater Treatment:
Total removal: 85.55 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 84.81 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 2.15 16.6 1000
Water 26.8 208 1000
Soil 70.3 416 1000
Sediment 0.73 1.87e+003 0
Persistence Time: 290 hr