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 Num: 014912-44-8
SMILES : C(CC(C1C(C2)C(C)C)C3(C2)C)=C(C)C31
CHEM : Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stere
oisomer (VAN9CI)
MOL FOR: C15 H24
MOL WT : 204.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 5.71
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 242.08 (Adapted Stein & Brown method)
Melting Pt (deg C): 38.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0476 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.35 (Mean VP of Antoine & Grain methods)
MP (exp database): < 25 deg C
BP (exp database): 248.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.1614
log Kow used: 5.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.030229 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.95E-001 atm-m3/mole (1.97E+004 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: 7.930E-002 atm-m3/mole (8.035E+003 Pa-m3/mole)
VP: 0.0476 mm Hg (source: MPBPVP)
WS: 0.161 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.71 (KowWin est)
Log Kaw used: 0.902 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.808
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4663
Biowin2 (Non-Linear Model) : 0.1657
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5354 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3995 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2379
Biowin6 (MITI Non-Linear Model): 0.0586
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2580
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.3606
BioHC Half-Life (days) : 229.3878
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 6.19 Pa (0.0464 mm Hg)
Log Koa (Koawin est ): 4.808
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.85E-007
Octanol/air (Koa) model: 1.58E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.75E-005
Mackay model : 3.88E-005
Octanol/air (Koa) model: 1.26E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 100.3525 E-12 cm3/molecule-sec
Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.279 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):
2.82E-005 (Junge-Pankow, Mackay avg)
1.26E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.893E+004 L/kg (MCI method)
Log Koc: 4.277 (MCI method)
Koc : 9.022E+004 L/kg (Kow method)
Log Koc: 4.955 (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 = 3.432 (BCF = 2707 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2693 days (HL = 18.59 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.713 (BCF = 5165)
Log BAF Arnot-Gobas method (upper trophic) = 4.493 (BAF = 3.114e+004)
log Kow used: 5.71 (estimated)
Volatilization from Water:
Henry LC: 0.195 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.463 hours
Half-Life from Model Lake : 135.8 hours (5.66 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.71 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 61.47 percent
Total to Air: 37.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.38 1.08 1000
Water 24.5 900 1000
Soil 49 1.8e+003 1000
Sediment 26.1 8.1e+003 0
Persistence Time: 320 hr