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: 20235-17-0
SMILES : O=C(OC3CC2CC1C(CC(O)C1C3(OC2(C)C)C)C)C
CHEM :
MOL FOR: C17 H28 O4
MOL WT : 296.41
------------------------------ 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) = 2.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 360.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 124.47 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.7E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 3.6E-005 (Modified Grain method)
Subcooled liquid VP: 2.65E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000353 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 305.3
log Kow used: 2.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 177.01 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.22E-011 atm-m3/mole (3.26E-006 Pa-m3/mole)
Group Method: 1.73E-012 atm-m3/mole (1.75E-007 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: 3.449E-010 atm-m3/mole (3.495E-005 Pa-m3/mole)
VP: 2.7E-007 mm Hg (source: MPBPVP)
WS: 305 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.50 (KowWin est)
Log Kaw used: -8.881 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.381
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2241
Biowin2 (Non-Linear Model) : 0.0532
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4114 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4619 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6078
Biowin6 (MITI Non-Linear Model): 0.1347
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3062
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): 0.000353 Pa (2.65E-006 mm Hg)
Log Koa (Koawin est ): 11.381
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00849
Octanol/air (Koa) model: 0.059
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.235
Mackay model : 0.404
Octanol/air (Koa) model: 0.825
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 46.4810 E-12 cm3/molecule-sec
Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.761 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.32 (Junge-Pankow, Mackay avg)
0.825 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 139 L/kg (MCI method)
Log Koc: 2.143 (MCI method)
Koc : 54.99 L/kg (Kow method)
Log Koc: 1.740 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.381E-002 L/mol-sec
Kb Half-Life at pH 8: 237.292 days
Kb Half-Life at pH 7: 6.497 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.317 (BCF = 20.74 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7333 days (HL = 0.1848 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.353 (BCF = 22.53)
Log BAF Arnot-Gobas method (upper trophic) = 1.353 (BAF = 22.53)
log Kow used: 2.50 (estimated)
Volatilization from Water:
Henry LC: 3.22E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.13E+007 hours (1.304E+006 days)
Half-Life from Model Lake : 3.415E+008 hours (1.423E+007 days)
Removal In Wastewater Treatment:
Total removal: 3.10 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.99 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 0.000356 5.52 1000
Water 15.8 900 1000
Soil 84.1 1.8e+003 1000
Sediment 0.136 8.1e+003 0
Persistence Time: 1.66e+003 hr