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: 010339-55-6
SMILES : OC(C=C)(CCC=C(CC)C)C
CHEM : 1,6-Nonadien-3-ol, 3,7-dimethyl-
MOL FOR: C11 H20 O1
MOL WT : 168.28
------------------------------ 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) = 3.87
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 223.32 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.13 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0177 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.35 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 99.98
log Kow used: 3.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 224.69 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.61E-005 atm-m3/mole (5.69E+000 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: 3.920E-005 atm-m3/mole (3.972E+000 Pa-m3/mole)
VP: 0.0177 mm Hg (source: MPBPVP)
WS: 100 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.87 (KowWin est)
Log Kaw used: -2.639 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.509
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4835
Biowin2 (Non-Linear Model) : 0.2490
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6152 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4515 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4534
Biowin6 (MITI Non-Linear Model): 0.3840
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0470
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): 2.17 Pa (0.0163 mm Hg)
Log Koa (Koawin est ): 6.509
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.38E-006
Octanol/air (Koa) model: 7.93E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.99E-005
Mackay model : 0.00011
Octanol/air (Koa) model: 6.34E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 120.6084 E-12 cm3/molecule-sec
Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.064 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.222 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
8.01E-005 (Junge-Pankow, Mackay avg)
6.34E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 143.5 L/kg (MCI method)
Log Koc: 2.157 (MCI method)
Koc : 451.1 L/kg (Kow method)
Log Koc: 2.654 (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 = 2.222 (BCF = 166.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1264 days (HL = 1.338 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.516 (BCF = 327.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.516 (BAF = 328)
log Kow used: 3.87 (estimated)
Volatilization from Water:
Henry LC: 5.61E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 14.86 hours
Half-Life from Model Lake : 270.9 hours (11.29 days)
Removal In Wastewater Treatment:
Total removal: 26.40 percent
Total biodegradation: 0.27 percent
Total sludge adsorption: 23.94 percent
Total to Air: 2.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0401 0.49 1000
Water 20.9 900 1000
Soil 78.9 1.8e+003 1000
Sediment 0.186 8.1e+003 0
Persistence Time: 803 hr