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CAS Number: 75-30-9

SMILES : C(C)(C)I

CHEM : Propane, 2-iodo-

MOL FOR: C3 H7 I1

MOL WT : 169.99

------------------------------ 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) = 2.50

Log Kow (Exper. database match) = 2.89

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 98.58 (Adapted Stein & Brown method)

Melting Pt (deg C): -81.32 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 66.1 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 8.81E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -90 deg C

BP (exp database): 89.5 deg C

VP (exp database): 4.31E+01 mm Hg (5.75E+003 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 209.3

log Kow used: 2.89 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1400 mg/L (20 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1703.2 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 9.69E-003 atm-m3/mole (9.82E+002 Pa-m3/mole)

Group Method: 1.14E-002 atm-m3/mole (1.16E+003 Pa-m3/mole)

Exper Database: 6.89E-03 atm-m3/mole (6.98E+002 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: 7.064E-002 atm-m3/mole (7.157E+003 Pa-m3/mole)

VP: 66.1 mm Hg (source: MPBPVP)

WS: 209 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.89 (exp database)

Log Kaw used: -0.550 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.440

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6666

Biowin2 (Non-Linear Model) : 0.6445

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8235 (weeks )

Biowin4 (Primary Survey Model) : 3.6025 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1566

Biowin6 (MITI Non-Linear Model): 0.0800

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5111

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): 5.75E+003 Pa (43.1 mm Hg)

Log Koa (Koawin est ): 3.440

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 5.22E-010

Octanol/air (Koa) model: 6.76E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.89E-008

Mackay model : 4.18E-008

Octanol/air (Koa) model: 5.41E-008

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.1724 E-12 cm3/molecule-sec

Half-Life = 9.123 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 109.482 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.03E-008 (Junge-Pankow, Mackay avg)

5.41E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 31.82 L/kg (MCI method)

Log Koc: 1.503 (MCI method)

Koc : 322 L/kg (Kow method)

Log Koc: 2.508 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.212E-009 L/mol-sec

Kb Half-Life at pH 8: 9.931E+006 years

Kb Half-Life at pH 7: 9.931E+007 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.574 (BCF = 37.48 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7858 days (HL = 0.1638 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.561 (BCF = 36.37)

Log BAF Arnot-Gobas method (upper trophic) = 1.561 (BAF = 36.37)

log Kow used: 2.89 (expkow database)

Volatilization from Water:

Henry LC: 0.00689 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.441 hours

Half-Life from Model Lake : 125 hours (5.21 days)

Removal In Wastewater Treatment:

Total removal: 73.61 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 2.77 percent

Total to Air: 70.79 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 44.5 219 1000

Water 46.1 360 1000

Soil 9.28 720 1000

Sediment 0.145 3.24e+003 0

Persistence Time: 137 hr

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