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: 065423-25-8
SMILES : C=CCCCCCCCCCC(=O)O
CHEM : 11-Dodecenoic acid
MOL FOR: C12 H22 O2
MOL WT : 198.31
------------------------------ 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) = 4.86
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 307.76 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000378 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0504 (Modified Grain method)
Subcooled liquid VP: 0.00129 mm Hg (25 deg C, Mod-Grain method)
: 0.172 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.817
log Kow used: 4.86 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 11.238 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.94E-006 atm-m3/mole (7.03E-001 Pa-m3/mole)
Group Method: 2.94E-006 atm-m3/mole (2.98E-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: 1.262E-005 atm-m3/mole (1.278E+000 Pa-m3/mole)
VP: 0.000378 mm Hg (source: MPBPVP)
WS: 7.82 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.86 (KowWin est)
Log Kaw used: -3.547 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.407
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7258
Biowin2 (Non-Linear Model) : 0.6976
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1255 (weeks )
Biowin4 (Primary Survey Model) : 3.9472 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7666
Biowin6 (MITI Non-Linear Model): 0.8683
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0362
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.172 Pa (0.00129 mm Hg)
Log Koa (Koawin est ): 8.407
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.74E-005
Octanol/air (Koa) model: 6.27E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00063
Mackay model : 0.00139
Octanol/air (Koa) model: 0.00499
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.7218 E-12 cm3/molecule-sec
Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.315 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.00101 (Junge-Pankow, Mackay avg)
0.00499 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 319.3 L/kg (MCI method)
Log Koc: 2.504 (MCI method)
Koc : 698.1 L/kg (Kow method)
Log Koc: 2.844 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3430 days (HL = 2.203 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.907 (BCF = 807.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.915 (BAF = 821.6)
log Kow used: 4.86 (estimated)
Volatilization from Water:
Henry LC: 2.94E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 281.9 hours (11.74 days)
Half-Life from Model Lake : 3193 hours (133 days)
Removal In Wastewater Treatment:
Total removal: 72.80 percent
Total biodegradation: 0.64 percent
Total sludge adsorption: 72.11 percent
Total to Air: 0.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.51 5.14 1000
Water 25.6 360 1000
Soil 73.5 720 1000
Sediment 0.349 3.24e+003 0
Persistence Time: 455 hr