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: 26186-00-5
SMILES : CCCCCCCCCCCCCCCC#C
CHEM :
MOL FOR: C17 H32
MOL WT : 236.44
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 7.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 297.92 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00198 (Modified Grain method)
VP (Pa, 25 deg C) : 0.264 (Modified Grain method)
Subcooled liquid VP: 0.00398 mm Hg (25 deg C, Mod-Grain method)
: 0.531 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001409
log Kow used: 7.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0016502 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.49E-001 atm-m3/mole (8.60E+004 Pa-m3/mole)
Group Method: 1.94E+000 atm-m3/mole (1.97E+005 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: 4.372E-001 atm-m3/mole (4.430E+004 Pa-m3/mole)
VP: 0.00198 mm Hg (source: MPBPVP)
WS: 0.00141 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.92 (KowWin est)
Log Kaw used: 1.540 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.380
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7434
Biowin2 (Non-Linear Model) : 0.8168
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9750 (weeks )
Biowin4 (Primary Survey Model) : 3.7757 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7010
Biowin6 (MITI Non-Linear Model): 0.8497
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8026
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.3225
BioHC Half-Life (days) : 21.0133
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.531 Pa (0.00398 mm Hg)
Log Koa (Koawin est ): 6.380
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.65E-006
Octanol/air (Koa) model: 5.89E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000204
Mackay model : 0.000452
Octanol/air (Koa) model: 4.71E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 26.4215 E-12 cm3/molecule-sec
Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.858 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec
Half-Life = 382.000 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.000328 (Junge-Pankow, Mackay avg)
4.71E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9.686E+004 L/kg (MCI method)
Log Koc: 4.986 (MCI method)
Koc : 7.471E+006 L/kg (Kow method)
Log Koc: 6.873 (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 = 3.077 (BCF = 1195 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9081 days (HL = 8.094 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.247 (BCF = 176.5)
Log BAF Arnot-Gobas method (upper trophic) = 4.109 (BAF = 1.285e+004)
log Kow used: 7.92 (estimated)
Volatilization from Water:
Henry LC: 1.94 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.57 hours
Half-Life from Model Lake : 146.1 hours (6.086 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 95.82 percent
Total biodegradation: 0.60 percent
Total sludge adsorption: 83.16 percent
Total to Air: 12.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.4 9.7 1000
Water 41.1 360 1000
Soil 33.3 720 1000
Sediment 22.2 3.24e+003 0
Persistence Time: 230 hr