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: 64849-39-4
SMILES : CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)OC6C
(C(C(C(O6)CO)O)O)O
CHEM :
MOL FOR: C32 H50 O13
MOL WT : 642.75
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -0.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 827.96 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.82E-026 (Modified Grain method)
VP (Pa, 25 deg C) : 2.43E-024 (Modified Grain method)
Subcooled liquid VP: 9.34E-023 mm Hg (25 deg C, Mod-Grain method)
: 1.25E-020 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 101.2
log Kow used: -0.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.80E-024 atm-m3/mole (5.88E-019 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: 1.521E-028 atm-m3/mole (1.541E-023 Pa-m3/mole)
VP: 1.82E-026 mm Hg (source: MPBPVP)
WS: 101 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.09 (KowWin est)
Log Kaw used: -21.625 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 21.535
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1078
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3243 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5420 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.1466
Biowin6 (MITI Non-Linear Model): 0.0603
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8996
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): 1.25E-020 Pa (9.34E-023 mm Hg)
Log Koa (Koawin est ): 21.535
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.41E+014
Octanol/air (Koa) model: 8.41E+008
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 = 213.3899 E-12 cm3/molecule-sec
Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.601 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 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 : 1.209E+005 L/kg (MCI method)
Log Koc: 5.082 (MCI method)
Koc : 0.5188 L/kg (Kow method)
Log Koc: -0.285 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.657E-004 L/mol-sec
Kb Half-Life at pH 8: 82.659 years
Kb Half-Life at pH 7: 826.593 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.0908 days (HL = 0.0008114 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.042 (BCF = 0.9085)
Log BAF Arnot-Gobas method (upper trophic) = -0.042 (BAF = 0.9085)
log Kow used: -0.09 (estimated)
Volatilization from Water:
Henry LC: 5.8E-024 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.559E+020 hours (1.066E+019 days)
Half-Life from Model Lake : 2.792E+021 hours (1.163E+020 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 0.0266 1.15 1000
Water 7.3 900 1000
Soil 48.1 1.8e+003 1000
Sediment 44.5 8.1e+003 0
Persistence Time: 1.91e+003 hr