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: 67845-45-8
SMILES : O(C(C(CC(C1CC2)(C2C)C3)C1(C)C)(C3)C)CC=C(C)C
CHEM : 1H-3a,7-Methanoazulene, octahydro-3,6,8,8-tetramethyl-6- (3-methyl-2-
butenyl)oxy -, 3R-(3.alpha.,3a.beta.,6.alpha.,7.
MOL FOR: C20 H34 O1
MOL WT : 290.49
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 6.83
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 325.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 101.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000179 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0239 (Modified Grain method)
Subcooled liquid VP: 0.000988 mm Hg (25 deg C, Mod-Grain method)
: 0.132 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.02046
log Kow used: 6.83 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.066268 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.26E-002 atm-m3/mole (1.28E+003 Pa-m3/mole)
Group Method: 4.88E-004 atm-m3/mole (4.95E+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: 3.344E-003 atm-m3/mole (3.388E+002 Pa-m3/mole)
VP: 0.000179 mm Hg (source: MPBPVP)
WS: 0.0205 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.83 (KowWin est)
Log Kaw used: -0.288 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.118
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.2899
Biowin2 (Non-Linear Model) : 0.0001
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9122 (months )
Biowin4 (Primary Survey Model) : 2.9586 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2463
Biowin6 (MITI Non-Linear Model): 0.0322
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.4305
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): 0.132 Pa (0.000988 mm Hg)
Log Koa (Koawin est ): 7.118
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.28E-005
Octanol/air (Koa) model: 3.22E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000822
Mackay model : 0.00182
Octanol/air (Koa) model: 0.000258
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 111.9258 E-12 cm3/molecule-sec
Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.147 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00132 (Junge-Pankow, Mackay avg)
0.000258 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.261E+004 L/kg (MCI method)
Log Koc: 4.797 (MCI method)
Koc : 4.096E+004 L/kg (Kow method)
Log Koc: 4.612 (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 v3.00):
Log BCF from regression-based method = 4.174 (BCF = 1.492e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.6592 days (HL = 45.63 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.708 (BCF = 5109)
Log BAF Arnot-Gobas method (upper trophic) = 5.956 (BAF = 9.038e+005)
log Kow used: 6.83 (estimated)
Volatilization from Water:
Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3.784 hours
Half-Life from Model Lake : 184.2 hours (7.675 days)
Removal In Wastewater Treatment:
Total removal: 93.76 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.92 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0178 0.5 1000
Water 6.08 1.44e+003 1000
Soil 72.7 2.88e+003 1000
Sediment 21.2 1.3e+004 0
Persistence Time: 1.89e+003 hr