This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 20830-75-5
SMILES : CC1OC(CC(O)C1O)OC2C(C)OC(CC2O)OC3C(C)OC(CC3O)OC4CCC5(C)C(CCC6C5CC(O)C
7(C)C(CCC67O)C8=CC(=O)OC8)C4
CHEM : Card-20(22)-enolide, 3-[(o-2,6-dideoxy- -D-ribo-hexopyranosyl-(1-->)-
o-2,6-dideoxy- -D-ribo-hexopyranosyl-(1-->)-2,6-di
MOL FOR: C41 H64 O14
MOL WT : 780.96
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
Water Solubility (mg/L): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.50
Log Kow (Exper. database match) = 1.26
Exper. Ref: SANGSTER (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 931.42 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.23E-029 (Modified Grain method)
VP (Pa, 25 deg C) : 8.3E-027 (Modified Grain method)
MP (exp database): 249 dec deg C
Subcooled liquid VP: 1.69E-026 mm Hg (25 deg C, Mod-Grain method)
: 2.26E-024 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.8457
log Kow used: 1.26 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 64.8 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.6482e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.66E-027 atm-m3/mole (4.72E-022 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: 7.570E-029 atm-m3/mole (7.670E-024 Pa-m3/mole)
VP: 6.23E-029 mm Hg (source: MPBPVP)
WS: 0.846 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.26 (exp database)
Log Kaw used: -24.720 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 25.980
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.2924
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7250 (recalcitrant)
Biowin4 (Primary Survey Model) : 3.0785 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2189
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.0759
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.25E-024 Pa (1.69E-026 mm Hg)
Log Koa (Koawin est ): 25.980
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.33E+018
Octanol/air (Koa) model: 2.34E+013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 244.6572 E-12 cm3/molecule-sec
Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.525 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9.928E+004 L/kg (MCI method)
Log Koc: 4.997 (MCI method)
Koc : 1.549 L/kg (Kow method)
Log Koc: 0.190 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.498 (BCF = 3.15 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5935 days (HL = 0.0255 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.254 (BCF = 1.795)
Log BAF Arnot-Gobas method (upper trophic) = 0.254 (BAF = 1.795)
log Kow used: 1.26 (expkow database)
Volatilization from Water:
Henry LC: 4.66E-027 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.511E+023 hours (1.463E+022 days)
Half-Life from Model Lake : 3.83E+024 hours (1.596E+023 days)
Removal In Wastewater Treatment:
Total removal: 1.92 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.83 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 0.00498 0.818 1000
Water 3.02 4.32e+003 1000
Soil 63.5 8.64e+003 1000
Sediment 33.4 3.89e+004 0
Persistence Time: 7.08e+003 hr