BT

The Good Scents Company Information Listings

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: 629-73-2

SMILES : C(=C)CCCCCCCCCCCCCC

CHEM : 1-Hexadecene

MOL FOR: C16 H32

MOL WT : 224.43

------------------------------ 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) = 8.06

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

Boiling Pt (deg C): 275.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.29 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00766 (Modified Grain method)

VP (Pa, 25 deg C) : 1.02 (Modified Grain method)

MP (exp database): 4.1 deg C

BP (exp database): 284.9 deg C

VP (exp database): 2.64E-03 mm Hg (3.52E-001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.001232

log Kow used: 8.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00039982 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.10E+000 atm-m3/mole (6.18E+005 Pa-m3/mole)

Group Method: 1.69E+001 atm-m3/mole (1.71E+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: 1.836E+000 atm-m3/mole (1.860E+005 Pa-m3/mole)

VP: 0.00766 mm Hg (source: MPBPVP)

WS: 0.00123 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.06 (KowWin est)

Log Kaw used: 2.397 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.663

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7491

Biowin2 (Non-Linear Model) : 0.8410

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0015 (weeks )

Biowin4 (Primary Survey Model) : 3.7930 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7058

Biowin6 (MITI Non-Linear Model): 0.8500

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5561

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.2362

BioHC Half-Life (days) : 17.2258

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.352 Pa (0.00264 mm Hg)

Log Koa (Koawin est ): 5.663

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

Mackay model : 8.52E-006

Octanol/air (Koa) model: 1.13E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000308

Mackay model : 0.000681

Octanol/air (Koa) model: 9.04E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 44.3085 E-12 cm3/molecule-sec

Half-Life = 0.241 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.897 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):

0.000495 (Junge-Pankow, Mackay avg)

9.04E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.315E+004 L/kg (MCI method)

Log Koc: 4.725 (MCI method)

Koc : 9.883E+006 L/kg (Kow method)

Log Koc: 6.995 (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 = 3.007 (BCF = 1016 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2556 days (HL = 18.01 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.793 (BCF = 620.5)

Log BAF Arnot-Gobas method (upper trophic) = 5.755 (BAF = 5.688e+005)

log Kow used: 8.06 (estimated)

Volatilization from Water:

Henry LC: 6.1 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.529 hours

Half-Life from Model Lake : 142.3 hours (5.929 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.99 percent

Total biodegradation: 0.48 percent

Total sludge adsorption: 76.68 percent

Total to Air: 19.83 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.99 4.62 1000

Water 69.2 360 1000

Soil 11.8 720 1000

Sediment 16 3.24e+003 0

Persistence Time: 144 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy