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CAS Number: 2437-56-1
SMILES : C(=C)CCCCCCCCCCC
CHEM : 1-Tridecene
MOL FOR: C13 H26
MOL WT : 182.35
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 6.59
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 223.50 (Adapted Stein & Brown method)
Melting Pt (deg C): -10.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.105 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 14 (Mean VP of Antoine & Grain methods)
MP (exp database): -13 deg C
BP (exp database): 232.8 deg C
VP (exp database): 6.38E-02 mm Hg (8.51E+000 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.03674
log Kow used: 6.59 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.013266 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.61E+000 atm-m3/mole (2.64E+005 Pa-m3/mole)
Group Method: 6.00E+000 atm-m3/mole (6.08E+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: 6.857E-001 atm-m3/mole (6.948E+004 Pa-m3/mole)
VP: 0.105 mm Hg (source: MPBPVP)
WS: 0.0367 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.59 (KowWin est)
Log Kaw used: 2.028 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.562
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7692
Biowin2 (Non-Linear Model) : 0.9058
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0945 (weeks )
Biowin4 (Primary Survey Model) : 3.8537 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6828
Biowin6 (MITI Non-Linear Model): 0.8404
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4781
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.0370
BioHC Half-Life (days) : 10.8887
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 8.51 Pa (0.0638 mm Hg)
Log Koa (Koawin est ): 4.562
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.53E-007
Octanol/air (Koa) model: 8.95E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.27E-005
Mackay model : 2.82E-005
Octanol/air (Koa) model: 7.16E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.0693 E-12 cm3/molecule-sec
Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.203 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):
2.05E-005 (Junge-Pankow, Mackay avg)
7.16E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8781 L/kg (MCI method)
Log Koc: 3.944 (MCI method)
Koc : 5.237E+005 L/kg (Kow method)
Log Koc: 5.719 (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 = 2.640 (BCF = 436.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8381 days (HL = 6.889 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.069 (BCF = 1173)
Log BAF Arnot-Gobas method (upper trophic) = 3.819 (BAF = 6595)
log Kow used: 6.59 (estimated)
Volatilization from Water:
Henry LC: 2.61 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.378 hours
Half-Life from Model Lake : 128.3 hours (5.344 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.51 percent
Total biodegradation: 0.22 percent
Total sludge adsorption: 62.01 percent
Total to Air: 37.29 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.76 5.01 1000
Water 70.9 360 1000
Soil 7.66 720 1000
Sediment 15.7 3.24e+003 0
Persistence Time: 93.1 hr