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: 38970-57-9
SMILES : CC1CC(OC12CCC(=CC2)C)C=C(C)C
CHEM :
MOL FOR: C15 H24 O1
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 5.65
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 280.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 49.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00562 (Modified Grain method)
VP (Pa, 25 deg C) : 0.75 (Modified Grain method)
Subcooled liquid VP: 0.00936 mm Hg (25 deg C, Mod-Grain method)
: 1.25 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.5118
log Kow used: 5.65 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 14.646 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.05E-004 atm-m3/mole (9.17E+001 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: 3.184E-003 atm-m3/mole (3.226E+002 Pa-m3/mole)
VP: 0.00562 mm Hg (source: MPBPVP)
WS: 0.512 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.65 (KowWin est)
Log Kaw used: -1.432 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.082
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1113
Biowin2 (Non-Linear Model) : 0.0051
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4914 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3666 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2435
Biowin6 (MITI Non-Linear Model): 0.0617
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6219
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): 1.25 Pa (0.00936 mm Hg)
Log Koa (Koawin est ): 7.082
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.4E-006
Octanol/air (Koa) model: 2.96E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.68E-005
Mackay model : 0.000192
Octanol/air (Koa) model: 0.000237
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 198.3791 E-12 cm3/molecule-sec
Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.647 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec
Half-Life = 0.013 Days (at 7E11 mol/cm3)
Half-Life = 19.189 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00014 (Junge-Pankow, Mackay avg)
0.000237 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4431 L/kg (MCI method)
Log Koc: 3.647 (MCI method)
Koc : 9114 L/kg (Kow method)
Log Koc: 3.960 (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 = 3.395 (BCF = 2485 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.5489 days (HL = 35.39 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.890 (BCF = 7769)
Log BAF Arnot-Gobas method (upper trophic) = 4.940 (BAF = 8.706e+004)
log Kow used: 5.65 (estimated)
Volatilization from Water:
Henry LC: 0.000905 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.475 hours
Half-Life from Model Lake : 151.5 hours (6.311 days)
Removal In Wastewater Treatment:
Total removal: 90.27 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 87.95 percent
Total to Air: 1.58 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0218 0.257 1000
Water 10 900 1000
Soil 87.5 1.8e+003 1000
Sediment 2.5 8.1e+003 0
Persistence Time: 902 hr