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CAS Number: 6765-39-5
SMILES : C(=C)CCCCCCCCCCCCCCC
CHEM : 1-Heptadecene
MOL FOR: C17 H34
MOL WT : 238.46
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 8.55
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 291.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 14.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00358 (Modified Grain method)
VP (Pa, 25 deg C) : 0.477 (Modified Grain method)
MP (exp database): 11.5 deg C
BP (exp database): 300 deg C
VP (exp database): 4.54E-04 mm Hg (6.05E-002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.0003941
log Kow used: 8.55 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00012336 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.09E+000 atm-m3/mole (8.20E+005 Pa-m3/mole)
Group Method: 2.39E+001 atm-m3/mole (2.42E+006 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: 2.850E+000 atm-m3/mole (2.888E+005 Pa-m3/mole)
VP: 0.00358 mm Hg (source: MPBPVP)
WS: 0.000394 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.55 (KowWin est)
Log Kaw used: 2.519 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.031
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7425
Biowin2 (Non-Linear Model) : 0.8125
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9705 (weeks )
Biowin4 (Primary Survey Model) : 3.7728 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7135
Biowin6 (MITI Non-Linear Model): 0.8531
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5821
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.3026
BioHC Half-Life (days) : 20.0716
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0605 Pa (0.000454 mm Hg)
Log Koa (Koawin est ): 6.031
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.96E-005
Octanol/air (Koa) model: 2.64E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00179
Mackay model : 0.00395
Octanol/air (Koa) model: 2.11E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 45.7215 E-12 cm3/molecule-sec
Half-Life = 0.234 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.807 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):
0.00287 (Junge-Pankow, Mackay avg)
2.11E-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 : 2.631E+007 L/kg (Kow method)
Log Koc: 7.420 (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 = 2.766 (BCF = 583.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3947 days (HL = 24.82 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.102 (BCF = 126.5)
Log BAF Arnot-Gobas method (upper trophic) = 4.828 (BAF = 6.737e+004)
log Kow used: 8.55 (estimated)
Volatilization from Water:
Henry LC: 8.09 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.576 hours
Half-Life from Model Lake : 146.7 hours (6.111 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 95.81 percent
Total biodegradation: 0.60 percent
Total sludge adsorption: 83.33 percent
Total to Air: 11.88 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.67 4.51 1000
Water 71.5 360 1000
Soil 15 720 1000
Sediment 10.9 3.24e+003 0
Persistence Time: 151 hr