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CAS Number: 65520-45-8
SMILES : O=C(OCCOCCOCCOCCCC)CCC(=O)OCCOCCOCCOCCCC
CHEM : Butanedioic acid, bis 2- 2-(2-butoxyethoxy)ethoxy ethyl ester
MOL FOR: C24 H46 O10
MOL WT : 494.63
------------------------------ 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) = 1.70
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 488.74 (Adapted Stein & Brown method)
Melting Pt (deg C): 173.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.53E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 2.04E-007 (Modified Grain method)
Subcooled liquid VP: 5.28E-008 mm Hg (25 deg C, Mod-Grain method)
: 7.04E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 27.12
log Kow used: 1.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2289 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.27E-017 atm-m3/mole (4.33E-012 Pa-m3/mole)
Group Method: 4.45E-023 atm-m3/mole (4.51E-018 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: 3.672E-011 atm-m3/mole (3.720E-006 Pa-m3/mole)
VP: 1.53E-009 mm Hg (source: MPBPVP)
WS: 27.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.70 (KowWin est)
Log Kaw used: -14.758 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 16.458
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.0069
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9312 (weeks )
Biowin4 (Primary Survey Model) : 4.0717 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9261
Biowin6 (MITI Non-Linear Model): 0.7548
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6385
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): 7.04E-006 Pa (5.28E-008 mm Hg)
Log Koa (Koawin est ): 16.458
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.426
Octanol/air (Koa) model: 7.05E+003
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.939
Mackay model : 0.972
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.1561 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.294 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.955 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 30.41 L/kg (MCI method)
Log Koc: 1.483 (MCI method)
Koc : 15.51 L/kg (Kow method)
Log Koc: 1.191 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.945E-001 L/mol-sec
Kb Half-Life at pH 8: 41.243 days
Kb Half-Life at pH 7: 1.129 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.792 (BCF = 6.194 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.8068 days (HL = 0.00156 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.240 (BCF = 1.736)
Log BAF Arnot-Gobas method (upper trophic) = 0.240 (BAF = 1.736)
log Kow used: 1.71 (estimated)
Volatilization from Water:
Henry LC: 4.45E-023 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.926E+019 hours (1.219E+018 days)
Half-Life from Model Lake : 3.192E+020 hours (1.33E+019 days)
Removal In Wastewater Treatment:
Total removal: 2.05 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.95 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 1.84e-014 2.59 1000
Water 24.3 360 1000
Soil 75.6 720 1000
Sediment 0.0753 3.24e+003 0
Persistence Time: 695 hr