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: 88395-50-0
SMILES : CC1=CCCC2(CO2)C3CC(C3CC1)(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) = 4.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 274.62 (Adapted Stein & Brown method)
Melting Pt (deg C): 67.39 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00512 (Modified Grain method)
VP (Pa, 25 deg C) : 0.683 (Modified Grain method)
Subcooled liquid VP: 0.0128 mm Hg (25 deg C, Mod-Grain method)
: 1.71 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.232
log Kow used: 4.90 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9.4878 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.65E-004 atm-m3/mole (9.78E+001 Pa-m3/mole)
Group Method: 3.15E-005 atm-m3/mole (3.19E+000 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: 6.651E-004 atm-m3/mole (6.739E+001 Pa-m3/mole)
VP: 0.00512 mm Hg (source: MPBPVP)
WS: 2.23 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.90 (KowWin est)
Log Kaw used: -1.404 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.304
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0726
Biowin2 (Non-Linear Model) : 0.0009
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2793 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2132 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3440
Biowin6 (MITI Non-Linear Model): 0.1303
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0430
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): 1.71 Pa (0.0128 mm Hg)
Log Koa (Koawin est ): 6.304
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.76E-006
Octanol/air (Koa) model: 4.94E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.35E-005
Mackay model : 0.000141
Octanol/air (Koa) model: 3.95E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 99.7837 E-12 cm3/molecule-sec
Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.286 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):
0.000102 (Junge-Pankow, Mackay avg)
3.95E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4532 L/kg (MCI method)
Log Koc: 3.656 (MCI method)
Koc : 3506 L/kg (Kow method)
Log Koc: 3.545 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 3.845E-003 L/mol-sec
Ka Half-Life at pH 7: 57.123 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.901 (BCF = 796.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8689 days (HL = 7.394 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.326 (BCF = 2118)
Log BAF Arnot-Gobas method (upper trophic) = 3.399 (BAF = 2505)
log Kow used: 4.90 (estimated)
Volatilization from Water:
Henry LC: 0.000965 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.415 hours
Half-Life from Model Lake : 150.8 hours (6.284 days)
Removal In Wastewater Treatment:
Total removal: 77.68 percent
Total biodegradation: 0.59 percent
Total sludge adsorption: 69.82 percent
Total to Air: 7.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0439 0.512 1000
Water 9.89 900 1000
Soil 87.5 1.8e+003 1000
Sediment 2.58 8.1e+003 0
Persistence Time: 899 hr